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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c1-16-8-6-7-11-20(16)23-25-26-24(27(23)19-9-4-3-5-10-19)32-15-22(29)18-13-12-17(2)21(14-18)28(30)31/h3-14H,15H2,1-2H3