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

Systemtic Name: 2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[5-[2-(4-bromophenyl)-2-keto-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]-N-(p-tolyl)acetamide Formula: C25H22BrN3O2S MolecularWeight: 508.43008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C)CC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C)CC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H22BrN3O2S/c1-15-4-10-20(11-5-15)29-24(31)14-32-25-22(13-27)16(2)21(17(3)28-25)12-23(30)18-6-8-19(26)9-7-18/h4-11H,12,14H2,1-3H3,(H,29,31)