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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H19N5OS/c1-3-21-15(13-8-5-4-6-9-13)18-19-16(21)23-12-14(22)20(2)11-7-10-17/h4-6,8-9H,3,7,11-12H2,1-2H3