5-cyano-6-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-cyano-6-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 5-cyano-6-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 5-cyano-6-[[2-(4-ethylanilino)-2-oxoethyl]thio]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 5-cyano-6-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 5-cyano-6-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-2-keto-1H-pyridine-3-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=O)N2)C(=O)O)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=O)N2)C(=O)O)C#N

InChI

InChI=1S/C17H15N3O4S/c1-2-10-3-5-12(6-4-10)19-14(21)9-25-16-11(8-18)7-13(17(23)24)15(22)20-16/h3-7H,2,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)