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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CC=N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CC=N3)C4=CC=NC=C4

InChI

InChI=1S/C20H17N7OS/c1-14-5-2-3-6-16(14)27-18(15-7-11-21-12-8-15)25-26-20(27)29-13-17(28)24-19-22-9-4-10-23-19/h2-12H,13H2,1H3,(H,22,23,24,28)