2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(p-tolyl)-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(p-tolyl)-2-(1,2,4-triazol-1-yl)ethanone Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(N2C=NC=N2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(N2C=NC=N2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C17H17N5OS/c1-11-4-6-14(7-5-11)15(23)16(22-10-18-9-19-22)24-17-20-12(2)8-13(3)21-17/h4-10,16H,1-3H3