(2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile

Systemtic Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Openeye Name: (2S)-2-(4-methylthiazol-2-yl)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile CAS Name: (2S)-2-(4-methyl-2-thiazolyl)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanenitrile IUPAC Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Traditional Name: (2S)-3-keto-4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C15H16N4O2S2/c1-3-4-10-5-13(21)19-15(18-10)23-8-12(20)11(6-16)14-17-9(2)7-22-14/h5,7,11H,3-4,8H2,1-2H3,(H,18,19,21)/t11-/m0/s1