N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3OS/c1-9-5-13(17)14(6-10(9)2)20-15(21)8-22-16-18-11(3)7-12(4)19-16/h5-7H,8H2,1-4H3,(H,20,21)