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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H18N4OS MolecularWeight: 386.46952

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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=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4OS/c1-16-7-9-19(10-8-16)26-21(18-11-13-23-14-12-18)24-25-22(26)28-15-20(27)17-5-3-2-4-6-17/h2-14H,15H2,1H3