methyl 2-(phenylmethyl)-4-sulfanylidene-1H-pyridine-3-carboxylate

Systemtic Name: methyl 2-(phenylmethyl)-4-sulfanylidene-1H-pyridine-3-carboxylate Openeye Name: methyl 2-benzyl-4-thioxo-1H-pyridine-3-carboxylate CAS Name: 2-(phenylmethyl)-4-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-4-sulfanylidene-1H-pyridine-3-carboxylate Traditional Name: 2-benzyl-4-thioxo-1H-pyridine-3-carboxylic acid methyl ester Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC=CC1=S)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(NC=CC1=S)CC2=CC=CC=C2

InChI

InChI=1S/C14H13NO2S/c1-17-14(16)13-11(15-8-7-12(13)18)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,18)