(2R)-4-(3,4-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(3,4-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(3,4-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(3,4-dimethylphenyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(3,4-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(3,4-dimethylphenyl)thio]-3-keto-butyronitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2OS/c1-9-4-5-12(6-10(9)2)18-8-14(17)13(7-15)11(3)16/h4-6,13,16H,8H2,1-3H3/t13-/m0/s1