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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5O4S2/c1-14-8-9-17(12-15(14)2)26-21(16-6-4-3-5-7-16)24-25-22(26)32-20-11-10-18(33(23,30)31)13-19(20)27(28)29/h3-13H,1-2H3,(H2,23,30,31)