N-(2-cyanoethyl)-N-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS/c1-2-10-20-13-18-19-16(20)23-12-15(22)21(11-6-9-17)14-7-4-3-5-8-14/h2-5,7-8,13H,1,6,10-12H2