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O39

O39
Name:	(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium
Formula:	C50 H40 Ir N6 O S
SMILES:	O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)CCSCc1cccnc1
InChi:	InChI=1S/C20H20N4OS.2C15H10N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18
Definition date:	2022-04-20
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium

O3L

O3L
Name:	(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium
Formula:	C42 H36 Ir N6 O S
SMILES:	O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccccn53)(c3ccccc3c3ccccn34)n2c1)CCSCc1cccnc1
InChi:	InChI=1S/C20H20N4OS.2C11H8N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18
Definition date:	2022-04-20
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	(N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium

7TE

7TE
Name:	(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1
Definition date:	2021-08-19
Last modified:	2022-08-24
Release date:	2022-08-24
Identifier:	({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid

G41

G41
Name:	(2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
Formula:	C27 H28 N6 O
SMILES:	C[CH](NC(=O)[CH]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2
InChi:	InChI=1S/C27H28N6O/c1-18(31-26(34)25-4-2-3-13-29-25)19-5-8-23(9-6-19)32-27-30-17-22-16-21(7-10-24(22)33-27)20-11-14-28-15-12-20/h5-12,14-18,25,29H,2-4,13H2,1H3,(H,31,34)(H,30,32,33)/t18-,25-/m0/s1
Definition date:	2022-01-27
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	(2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide

GE9

GE9
Name:	2,3,5-tris(iodanyl)benzamide
Formula:	C7 H4 I3 N O
SMILES:	NC(=O)c1cc(I)cc(I)c1I
InChi:	InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12)
Definition date:	2022-01-31
Last modified:	2022-08-22
Release date:	2022-06-01
Identifier:	2,3,5-tris(iodanyl)benzamide

T56

T56
Name:	(E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide
Formula:	C15 H11 N O3
SMILES:	ONC(=O)C=Cc1cccc2c1oc3ccccc23
InChi:	InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+
Definition date:	2021-10-26
Last modified:	2022-08-22
Release date:	2021-12-15
Identifier:	(~{E})-3-dibenzofuran-4-yl-~{N}-oxidanyl-prop-2-enamide

IZL

IZL
Name:	[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate
Formula:	C74 H133 O39 P
SMILES:	CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1
Definition date:	2022-04-22
Last modified:	2022-08-22
Release date:	2022-05-18
Identifier:	[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate

J70

J70
Name:	Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Formula:	C24 H24 N6 O4 Pt
SMILES:	[Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
InChi:	InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10
Definition date:	2021-04-19
Last modified:	2022-08-22
Release date:	2021-12-15

9P0

9P0
Name:	4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
Formula:	C30 H34 N4 O8 S
SMILES:	CN(C)C(=O)[CH]1CSCc2c(cccc2c3ccc(cc3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1
InChi:	InChI=1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1
Definition date:	2021-11-19
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	4-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid

9SI

9SI
Name:	[(2R,3S,4R,5R)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C18 H24 N6 O7 P
SMILES:	NCc1ccc(C[n+]2cnc3n(cnc3c2N)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)cc1
InChi:	InChI=1S/C18H23N6O7P/c19-5-10-1-3-11(4-2-10)6-23-8-22-17-13(16(23)20)21-9-24(17)18-15(26)14(25)12(31-18)7-30-32(27,28)29/h1-4,8-9,12,14-15,18,20,25-26H,5-7,19H2,(H2,27,28,29)/p+1/t12-,14-,15-,18-/m1/s1
Synonyms:	1-benzylamine-adenosine
Definition date:	2021-11-19
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

9SY

9SY
Name:	[(2R,3S,4R,5R)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C17 H21 N5 O7 P
SMILES:	Nc1c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2nc[n+]1Cc4ccccc4
InChi:	InChI=1S/C17H20N5O7P/c18-15-12-16(20-8-21(15)6-10-4-2-1-3-5-10)22(9-19-12)17-14(24)13(23)11(29-17)7-28-30(25,26)27/h1-5,8-9,11,13-14,17-18,23-24H,6-7H2,(H2,25,26,27)/p+1/t11-,13-,14-,17-/m1/s1
Synonyms:	1-benzyl-adenosine derivative
Definition date:	2021-11-19
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

9V3

9V3
Name:	2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
Formula:	C19 H25 N3 O S
SMILES:	CC(C)CNCC(=O)N1CCc2sccc2[CH]1c3cccc(C)n3
InChi:	InChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1
Definition date:	2021-11-19
Last modified:	2022-08-22
Release date:	2022-01-26
Identifier:	2-(2-methylpropylamino)-1-[(4~{R})-4-(6-methylpyridin-2-yl)-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone

9VO

9VO
Name:	N-(phenylmethyl)pyridin-2-amine
Formula:	C12 H12 N2
SMILES:	C(Nc1ccccn1)c2ccccc2
InChi:	InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2022-01-26
Identifier:	~{N}-(phenylmethyl)pyridin-2-amine

42I

42I
Name:	N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
Formula:	C20 H15 N3 O2
SMILES:	Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
InChi:	InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)
Definition date:	2021-06-28
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	~{N}-[6-(4-hydroxyphenyl)-1~{H}-indazol-3-yl]benzamide

9WQ

9WQ
Name:	3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid
Formula:	C22 H14 Cl2 N2 O4
SMILES:	OC(=O)C1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)c3cc(Oc4ccccc4)ccc13
InChi:	InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid

9X2

9X2
Name:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide
Formula:	C26 H33 N7 O3
SMILES:	O=C(NCC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5
InChi:	InChI=1S/C26H33N7O3/c34-24(21-6-3-9-27-21)30-16-17-7-12-33(13-8-17)26(36)32-23-22(28-10-11-29-23)25(35)31-20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,10-11,17,20-21,27H,3,6-9,12-16H2,(H,30,34)(H,31,35)(H,29,32,36)/t21-/m0/s1
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2021-12-08
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide

9XM

9XM
Name:	[(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate
Formula:	C36 H38 Br Cl N10 O8 S
SMILES:	Clc1cc2C(=O)N(CC(=O)C[CH]3NCCC[CH]3OC(=O)N[S](=O)(=O)N4CCN(CC4)C(=O)Nc5nccnc5C(=O)NC6Cc7ccccc7C6)C=Nc2cc1Br
InChi:	InChI=1S/C36H38BrClN10O8S/c37-26-18-28-25(17-27(26)38)34(51)47(20-42-28)19-24(49)16-29-30(6-3-7-39-29)56-36(53)45-57(54,55)48-12-10-46(11-13-48)35(52)44-32-31(40-8-9-41-32)33(50)43-23-14-21-4-1-2-5-22(21)15-23/h1-2,4-5,8-9,17-18,20,23,29-30,39H,3,6-7,10-16,19H2,(H,43,50)(H,45,53)(H,41,44,52)/t29-,30+/m1/s1
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2021-12-08
Identifier:	[(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate

9XS

9XS
Name:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C22 H27 N3 O8 S
SMILES:	C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,18,23,26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-,18+/m1/s1
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

9ZG

9ZG
Name:	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Formula:	C20 H26 N4 O3
SMILES:	CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1
Definition date:	2021-11-22
Last modified:	2022-08-22
Release date:	2022-01-26
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

A0U

A0U
Name:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Formula:	C16 H24 N4 O3
SMILES:	CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N
InChi:	InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+
Definition date:	2021-11-23
Last modified:	2022-08-22
Release date:	2022-01-26
Identifier:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate

FIQ

FIQ
Name:	6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
Formula:	C8 H10 N2 O2
SMILES:	CN1C(=O)NC(=CC1=O)C2CC2
InChi:	InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)
Definition date:	2022-01-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	6-cyclopropyl-3-methyl-1~{H}-pyrimidine-2,4-dione

FNW

FNW
Name:	[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
Formula:	C10 H6 Cl2 F3 N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)c(c2Cl)C(F)(F)F
InChi:	InChI=1S/C10H6Cl2F3N3O/c11-6-1-2-7(9(12)8(6)10(13,14)15)18-3-5(4-19)16-17-18/h1-3,19H,4H2
Definition date:	2022-01-25
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol

A3X

A3X
Name:	N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone
Formula:	C10 H13 N3 O2 S
SMILES:	COc1cc(ccc1O)C(C)=NNC(N)=S
InChi:	InChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+
Synonyms:	1-[(E)-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea
Definition date:	2021-11-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	1-[(~{E})-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea

A4O

A4O
Name:	N-(2,4-dihydroxybenzylidene)-thiosemicarbazone
Formula:	C8 H9 N3 O2 S
SMILES:	NC(=S)NN=Cc1ccc(O)cc1O
InChi:	InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
Synonyms:	1-[(E)-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea
Definition date:	2021-11-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	1-[(~{E})-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea

A5I

A5I
Name:	N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
Formula:	C10 H13 N3 O3 S
SMILES:	COc1cc(C=NNC(N)=S)cc(OC)c1O
InChi:	InChI=1S/C10H13N3O3S/c1-15-7-3-6(5-12-13-10(11)17)4-8(16-2)9(7)14/h3-5,14H,1-2H3,(H3,11,13,17)/b12-5+
Synonyms:	1-[(E)-(3,5-dimethoxy-4-oxidanyl-phenyl)methylideneamino]thiourea
Definition date:	2021-11-24
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	1-[(~{E})-(3,5-dimethoxy-4-oxidanyl-phenyl)methylideneamino]thiourea

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