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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H18N6OS/c1-15-7-5-8-16(13-15)19-25-26-21(27(19)17-9-3-2-4-10-17)29-14-18(28)24-20-22-11-6-12-23-20/h2-13H,14H2,1H3,(H,22,23,24,28)