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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N5O4S2/c1-15-9-10-18(13-16(15)2)27-22(17-7-5-4-6-8-17)25-26-23(27)33-21-12-11-19(34(31,32)24-3)14-20(21)28(29)30/h4-14,24H,1-3H3