N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetamide Formula: C27H20BrN3OS MolecularWeight: 514.4362

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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=CC=C4)C#N)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H20BrN3OS/c1-18-12-13-24(23(28)14-18)30-26(32)17-33-27-22(16-29)21(19-8-4-2-5-9-19)15-25(31-27)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,30,32)