(2S)-4-(2,5-dimethylphenyl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2S)-4-[(2,5-dimethylphenyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2S)-4-[(2,5-dimethylphenyl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C16H16N2OS2 MolecularWeight: 316.44104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C16H16N2OS2/c1-10-4-5-11(2)15(6-10)20-9-14(19)13(7-17)16-18-12(3)8-21-16/h4-6,8,13H,9H2,1-3H3/t13-/m0/s1