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

Systemtic Name: 6-(4-methylphenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(methylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(methylthio)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC)C#N

InChI

InChI=1S/C13H11N3OS/c1-8-3-5-9(6-4-8)11-10(7-14)12(17)16-13(15-11)18-2/h3-6H,1-2H3,(H,15,16,17)