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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C(=O)C2=CC=C(C=C2)OC)N3C=NC=N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C(=O)C2=CC=C(C=C2)OC)N3C=NC=N3)C

InChI

InChI=1S/C17H17N5O2S/c1-11-8-12(2)21-17(20-11)25-16(22-10-18-9-19-22)15(23)13-4-6-14(24-3)7-5-13/h4-10,16H,1-3H3