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

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5H,1H3,(H2,14,15,16,17)