4-(5-cyano-2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzoic acid

Systemtic Name: 4-(5-cyano-2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzoic acid Openeye Name: 4-(5-cyano-2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzoic acid CAS Name: 4-[5-cyano-2-(ethylthio)-4-oxo-1H-pyrimidin-6-yl]benzoic acid IUPAC Name: 4-(5-cyano-2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)benzoic acid Traditional Name: 4-[5-cyano-2-(ethylthio)-4-keto-1H-pyrimidin-6-yl]benzoic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C14H11N3O3S/c1-2-21-14-16-11(10(7-15)12(18)17-14)8-3-5-9(6-4-8)13(19)20/h3-6H,2H2,1H3,(H,19,20)(H,16,17,18)