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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1,2-diphenylethanone IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,2-diphenyl-ethanone Formula: C28H22N4OS MolecularWeight: 462.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H22N4OS/c1-20-10-8-9-15-24(20)32-27(23-16-18-29-19-17-23)30-31-28(32)34-26(22-13-6-3-7-14-22)25(33)21-11-4-2-5-12-21/h2-19,26H,1H3