5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate

Systemtic Name: 5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate Openeye Name: 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-oxo-6-(phenylmethylthio)-1H-pyridine-3-carboxylate IUPAC Name: 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-keto-1H-pyridine-3-carboxylate Formula: C14H9N2O3S- MolecularWeight: 285.29786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=O)N2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=O)N2)C(=O)[O-])C#N

InChI

InChI=1S/C14H10N2O3S/c15-7-10-6-11(14(18)19)12(17)16-13(10)20-8-9-4-2-1-3-5-9/h1-6H,8H2,(H,16,17)(H,18,19)/p-1