2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H13N3O3S/c1-10-13(15(22)19-12-5-3-2-4-6-12)7-11(8-17)16(18-10)23-9-14(20)21/h2-7H,9H2,1H3,(H,19,22)(H,20,21)/p-1