N-(cyanomethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H16N6OS/c1-23-17(14-7-10-20-11-8-14)21-22-18(23)26-13-16(25)24(12-9-19)15-5-3-2-4-6-15/h2-8,10-11H,12-13H2,1H3