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

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C22H19N5O4S2 MolecularWeight: 481.54736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O4S2/c1-14-8-10-18(15(2)12-14)26-33(30,31)17-9-11-20(19(13-17)27(28)29)32-22-23-21(24-25-22)16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,23,24,25)