N-[1-(3-bromophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(3-bromophenyl)ethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-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(=NC(=N1)SCC(=O)NC(C)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC(C)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C16H18BrN3OS/c1-10-7-11(2)19-16(18-10)22-9-15(21)20-12(3)13-5-4-6-14(17)8-13/h4-8,12H,9H2,1-3H3,(H,20,21)