2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H16N6OS/c1-11-5-3-6-12(9-11)14-20-21-16(22(14)2)24-10-13(23)19-15-17-7-4-8-18-15/h3-9H,10H2,1-2H3,(H,17,18,19,23)