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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H19N5OS/c1-2-21-14(11-13-7-4-3-5-8-13)19-20-16(21)23-12-15(22)18-10-6-9-17/h3-5,7-8H,2,6,10-12H2,1H3,(H,18,22)