N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(3,4-dimethylphenyl)thio]acetamide Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC(C)(C#N)C2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N[C@](C)(C#N)C2CC2)C

InChI

InChI=1S/C16H20N2OS/c1-11-4-7-14(8-12(11)2)20-9-15(19)18-16(3,10-17)13-5-6-13/h4,7-8,13H,5-6,9H2,1-3H3,(H,18,19)/t16-/m1/s1