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

Systemtic Name: 2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[5-[2-(4-bromophenyl)-2-keto-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]-N-phenethyl-acetamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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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)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H24BrN3O2S/c1-17-22(14-24(31)20-8-10-21(27)11-9-20)18(2)30-26(23(17)15-28)33-16-25(32)29-13-12-19-6-4-3-5-7-19/h3-11H,12-14,16H2,1-2H3,(H,29,32)