4-(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenecarbonitrile

Systemtic Name: 4-(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenecarbonitrile Openeye Name: 4-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzonitrile CAS Name: 4-[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]benzonitrile IUPAC Name: 4-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzonitrile Traditional Name: 4-[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]benzonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=NC(=O)C=C(N1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H9N3OS/c1-17-12-14-10(6-11(16)15-12)9-4-2-8(7-13)3-5-9/h2-6H,1H3,(H,14,15,16)