2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]nicotinate Formula: C15H12NO3S- MolecularWeight: 286.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C15H13NO3S/c1-10-4-6-11(7-5-10)13(17)9-20-14-12(15(18)19)3-2-8-16-14/h2-8H,9H2,1H3,(H,18,19)/p-1