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

Systemtic Name: 1-(4-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-12-5-7-13(8-6-12)15(22)11-23-17-20-19-16(21(17)2)14-4-3-9-18-10-14/h3-10H,11H2,1-2H3