2-methylsulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-methylsulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(methylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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