5-cyano-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 5-cyano-6-(p-tolyl)-2-thioxo-1H-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 5-cyano-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 5-cyano-6-(p-tolyl)-2-thioxo-1H-pyrimidin-4-olate Formula: C12H8N3OS- MolecularWeight: 242.27642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=S)N2)[O-])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)/p-1