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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[3-cyano-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[4-(4-benzyloxy-3-ethoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[3-cyano-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[3-cyano-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-benzoxy-3-ethoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C36H30BrN3O3S MolecularWeight: 664.6107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)C)Br)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)C)Br)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C36H30BrN3O3S/c1-3-42-34-19-27(15-17-33(34)43-22-25-10-6-4-7-11-25)28-20-32(26-12-8-5-9-13-26)40-36(29(28)21-38)44-23-35(41)39-31-16-14-24(2)18-30(31)37/h4-20H,3,22-23H2,1-2H3,(H,39,41)