2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]acetic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)O

InChI

InChI=1S/C15H12N2O2S/c1-10-7-12(11-5-3-2-4-6-11)13(8-16)15(17-10)20-9-14(18)19/h2-7H,9H2,1H3,(H,18,19)