N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C16H14BrN3OS/c1-10-6-13(17)14(7-11(10)2)20-15(21)9-22-16-12(8-18)4-3-5-19-16/h3-7H,9H2,1-2H3,(H,20,21)