[5-chloranyl-2-(cyanosulfamoyl)-4-methyl-phenyl] (Z)-N-[(4-nitrophenyl)amino]benzenecarboximidothioate

Systemtic Name: [5-chloranyl-2-(cyanosulfamoyl)-4-methyl-phenyl] (Z)-N-[(4-nitrophenyl)amino]benzenecarboximidothioate Openeye Name: [5-chloro-2-(cyanosulfamoyl)-4-methyl-phenyl] (Z)-N-(4-nitroanilino)benzenecarboximidothioate CAS Name: (Z)-N-(4-nitroanilino)benzenecarboximidothioic acid [5-chloro-2-(cyanosulfamoyl)-4-methylphenyl] ester IUPAC Name: [5-chloro-2-(cyanosulfamoyl)-4-methylphenyl] (Z)-N-(4-nitroanilino)benzenecarboximidothioate Traditional Name: (Z)-N-(4-nitroanilino)benzenecarboximidothioic acid [5-chloro-2-(cyanosulfamoyl)-4-methyl-phenyl] ester Formula: C21H16ClN5O4S2 MolecularWeight: 501.96584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)NC#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3)S(=O)(=O)NC#N

InChI

InChI=1S/C21H16ClN5O4S2/c1-14-11-20(33(30,31)24-13-23)19(12-18(14)22)32-21(15-5-3-2-4-6-15)26-25-16-7-9-17(10-8-16)27(28)29/h2-12,24-25H,1H3/b26-21-