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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6OS/c1-24-18(15-8-11-21-12-9-15)22-23-19(24)27-14-17(26)25(13-5-10-20)16-6-3-2-4-7-16/h2-4,6-9,11-12H,5,13-14H2,1H3