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

Systemtic Name: N-(4-acetamidophenyl)-2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[5-[2-(4-bromophenyl)-2-keto-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]acetamide Formula: C26H23BrN4O3S MolecularWeight: 551.45482

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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)NC(=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)NC(=O)C)C#N

InChI

InChI=1S/C26H23BrN4O3S/c1-15-22(12-24(33)18-4-6-19(27)7-5-18)16(2)29-26(23(15)13-28)35-14-25(34)31-21-10-8-20(9-11-21)30-17(3)32/h4-11H,12,14H2,1-3H3,(H,30,32)(H,31,34)