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

Systemtic Name: N-(2-cyanoethyl)-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)acetamide CAS Name: N-(2-cyanoethyl)-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)acetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NCCC#N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NCCC#N)C3=CC=NC=C3

InChI

InChI=1S/C19H18N6OS/c20-9-4-10-22-17(26)14-27-19-24-23-18(16-7-11-21-12-8-16)25(19)13-15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,10,13-14H2,(H,22,26)