4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide Formula: C14H11ClN6O4S2 MolecularWeight: 426.85794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN6O4S2/c15-9-3-1-2-4-10(9)20-27(24,25)8-5-6-12(11(7-8)21(22)23)26-14-17-13(16)18-19-14/h1-7,20H,(H3,16,17,18,19)