2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-[2-(4-bromophenyl)-2-keto-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]acetamide Formula: C26H22BrN3O3S MolecularWeight: 536.44018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

InChI

InChI=1S/C26H22BrN3O3S/c1-15-22(12-24(32)19-4-8-20(27)9-5-19)16(2)29-26(23(15)13-28)34-14-25(33)30-21-10-6-18(7-11-21)17(3)31/h4-11H,12,14H2,1-3H3,(H,30,33)