N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3,4-dimethylphenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3,4-dimethylphenyl)thio]acetamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCCC#N)C

InChI

InChI=1S/C13H16N2OS/c1-10-4-5-12(8-11(10)2)17-9-13(16)15-7-3-6-14/h4-5,8H,3,7,9H2,1-2H3,(H,15,16)