N-tert-butyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4S2/c1-13-8-6-7-9-16(13)24-14(2)21-22-19(24)30-18-11-10-15(12-17(18)25(26)27)31(28,29)23-20(3,4)5/h6-12,23H,1-5H3