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

Systemtic Name: 4-(5-cyano-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzoate Openeye Name: 4-(5-cyano-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzoate CAS Name: 4-[5-cyano-2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]benzoate IUPAC Name: 4-(5-cyano-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzoate Traditional Name: 4-[5-cyano-4-keto-2-(methylthio)-1H-pyrimidin-6-yl]benzoate Formula: C13H8N3O3S- MolecularWeight: 286.28592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(=O)[O-])C#N

InChI

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