6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[(2-chlorophenyl)methylthio]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[(2-chlorobenzyl)thio]-5-cyano-2-keto-1H-pyridine-3-carboxylic acid Formula: C14H9ClN2O3S MolecularWeight: 320.75086

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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)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=C(C(=O)N2)C(=O)O)C#N)Cl

InChI

InChI=1S/C14H9ClN2O3S/c15-11-4-2-1-3-8(11)7-21-13-9(6-16)5-10(14(19)20)12(18)17-13/h1-5H,7H2,(H,17,18)(H,19,20)