methyl 4-(5-cyano-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)benzoate

Systemtic Name: methyl 4-(5-cyano-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)benzoate Openeye Name: methyl 4-(5-cyano-4-oxo-2-thioxo-1H-pyrimidin-6-yl)benzoate CAS Name: 4-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)benzoate Traditional Name: 4-(5-cyano-4-keto-2-thioxo-1H-pyrimidin-6-yl)benzoic acid methyl ester Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O3S/c1-19-12(18)8-4-2-7(3-5-8)10-9(6-14)11(17)16-13(20)15-10/h2-5H,1H3,(H2,15,16,17,20)