N-(2-bromanyl-4-methyl-phenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetamide Formula: C28H22BrN3O2S MolecularWeight: 544.46218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N)Br

InChI

InChI=1S/C28H22BrN3O2S/c1-18-8-13-25(24(29)14-18)31-27(33)17-35-28-23(16-30)22(19-9-11-21(34-2)12-10-19)15-26(32-28)20-6-4-3-5-7-20/h3-15H,17H2,1-2H3,(H,31,33)