2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanenitrile

Systemtic Name: 2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanenitrile Openeye Name: 2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetonitrile CAS Name: 2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]acetonitrile IUPAC Name: 2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetonitrile Traditional Name: 2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CC#N)C2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=CC(=O)N1CC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3OS/c1-18-13-15-11(10-5-3-2-4-6-10)9-12(17)16(13)8-7-14/h2-6,9H,8H2,1H3