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

Systemtic Name: (2S)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2S)-4-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2S)-3-keto-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)[C@H](C#N)C3=NC(=CS3)C

InChI

InChI=1S/C19H16N4OS2/c1-12-8-16(14-6-4-3-5-7-14)23-19(22-12)26-11-17(24)15(9-20)18-21-13(2)10-25-18/h3-8,10,15H,11H2,1-2H3/t15-/m0/s1