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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6OS/c1-25(13-5-10-21)18(27)15-28-20-24-23-19(17-8-11-22-12-9-17)26(20)14-16-6-3-2-4-7-16/h2-4,6-9,11-12H,5,13-15H2,1H3