5-[(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]methyl]-2-furoate Formula: C19H13N2O3S- MolecularWeight: 349.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C19H14N2O3S/c1-12-9-15(13-5-3-2-4-6-13)16(10-20)18(21-12)25-11-14-7-8-17(24-14)19(22)23/h2-9H,11H2,1H3,(H,22,23)/p-1