2-[[5-[[(2,5-dimethylphenyl)amino]methyl]-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-[[(2,5-dimethylphenyl)amino]methyl]-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-[(2,5-dimethylanilino)methyl]-2-(p-tolylsulfonyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-[(2,5-dimethylanilino)methyl]-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-[(2,5-dimethylanilino)methyl]-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-[(2,5-dimethylanilino)methyl]-2-tosyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C26H26N6O5S2 MolecularWeight: 566.65184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)CNC3=C(C=CC(=C3)C)C)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)CNC3=C(C=CC(=C3)C)C)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O5S2/c1-17-8-11-22(12-9-17)39(36,37)31-26(29-24(30-31)15-27-23-13-18(2)7-10-19(23)3)38-16-25(33)28-20-5-4-6-21(14-20)32(34)35/h4-14,27H,15-16H2,1-3H3,(H,28,33)