(phenylmethyl) 6-sulfanylidene-1H-pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 6-sulfanylidene-1H-pyridine-2-carboxylate Openeye Name: benzyl 6-thioxo-1H-pyridine-2-carboxylate CAS Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-sulfanylidene-1H-pyridine-2-carboxylate Traditional Name: 6-thioxo-1H-pyridine-2-carboxylic acid benzyl ester Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=S)N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=S)N2

InChI

InChI=1S/C13H11NO2S/c15-13(11-7-4-8-12(17)14-11)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,17)