2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O3S/c1-16-7-11-19(12-8-16)26-22(18-9-13-20(14-10-18)27(29)30)24-25-23(26)31-15-21(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3