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

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxy-3-methyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxy-3-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxy-3-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxy-3-methyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

InChI

InChI=1S/C17H16N4O2S/c1-11-9-13(3-4-15(11)23-2)14(22)10-24-17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9H,10H2,1-2H3,(H,19,20,21)