6-(3-chlorophenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-chlorophenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-chlorophenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-chlorophenyl)-2-(methylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-chlorophenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-chlorophenyl)-4-keto-2-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C12H8ClN3OS MolecularWeight: 277.72942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3OS/c1-18-12-15-10(9(6-14)11(17)16-12)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,15,16,17)