2-(3-cyano-4,6-dimethyl-5-phenacyl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-4,6-dimethyl-5-phenacyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-4,6-dimethyl-5-phenacylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridyl)thio]acetic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC(=O)O)C#N

InChI

InChI=1S/C18H16N2O3S/c1-11-14(8-16(21)13-6-4-3-5-7-13)12(2)20-18(15(11)9-19)24-10-17(22)23/h3-7H,8,10H2,1-2H3,(H,22,23)