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Summary

Name:	2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Formula:	C20 H19 F3 N4 O2 S
Formal charge:	0
Formula weight:	436.451 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,6-difluoro-N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
OpenEye OEToolkits	1.9.2	2,6-bis(fluoranyl)-N-[(1S)-1-[5-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(F)c1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3C)C
InChI	InChI	1.03	InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)/t12-/m0/s1
InChIKey	InChI	1.03	OUIZIUPLGXONEI-LBPRGKRZSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](NC(=O)c1c(F)cccc1F)c2nnc(SCCOc3ccc(F)cc3)n2C
SMILES	CACTVS	3.385	C[CH](NC(=O)c1c(F)cccc1F)c2nnc(SCCOc3ccc(F)cc3)n2C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F
SMILES	OpenEye OEToolkits	1.9.2	CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F

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