(2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-(2,4,6-trimethylphenyl)sulfanyl-butanenitrile

Systemtic Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-(2,4,6-trimethylphenyl)sulfanyl-butanenitrile Openeye Name: (2S)-2-(4-methylthiazol-2-yl)-3-oxo-4-(2,4,6-trimethylphenyl)sulfanyl-butanenitrile CAS Name: (2S)-2-(4-methyl-2-thiazolyl)-3-oxo-4-[(2,4,6-trimethylphenyl)thio]butanenitrile IUPAC Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-(2,4,6-trimethylphenyl)sulfanylbutanenitrile Traditional Name: (2S)-3-keto-4-(mesitylthio)-2-(4-methylthiazol-2-yl)butyronitrile Formula: C17H18N2OS2 MolecularWeight: 330.46762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS2/c1-10-5-11(2)16(12(3)6-10)21-9-15(20)14(7-18)17-19-13(4)8-22-17/h5-6,8,14H,9H2,1-4H3/t14-/m0/s1