3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1H-pyridine-2-carboxylic acid

Systemtic Name: 3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1H-pyridine-2-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)methyl]-4-thioxo-1H-pyridine-2-carboxylic acid CAS Name: 3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1H-pyridine-2-carboxylic acid IUPAC Name: 3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1H-pyridine-2-carboxylic acid Traditional Name: 3-(3-chlorobenzyl)-4-thioxo-1H-pyridine-2-carboxylic acid Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC2=C(NC=CC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC2=C(NC=CC2=S)C(=O)O

InChI

InChI=1S/C13H10ClNO2S/c14-9-3-1-2-8(6-9)7-10-11(18)4-5-15-12(10)13(16)17/h1-6H,7H2,(H,15,18)(H,16,17)