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LS2

Summary
Name:N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Formula:C17 H15 N5 O3 S2
Formal charge:0
Formula weight:401.463 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-methyl-1-{4-[(2Z)-2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
OpenEye OEToolkits1.5.0N-methyl-1-[4-[2-(7-oxo-6H-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)hydrazinyl]phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3cc4
SMILES_CANONICALCACTVS3.341CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1
SMILESCACTVS3.341CN[S](=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O
SMILESOpenEye OEToolkits1.5.0CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O
InChIInChI1.03InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)
InChIKeyInChI1.03GEWPSTLKJDIUHW-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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