4-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C#N)C(=O)C

InChI

InChI=1S/C24H21N3O3S/c1-15-22(16(2)28)12-19(13-25)24(26-15)31-14-17-4-6-18(7-5-17)23(29)27-20-8-10-21(30-3)11-9-20/h4-12H,14H2,1-3H3,(H,27,29)