2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide Formula: C20H16Br3N3O2S MolecularWeight: 602.13694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C(=C3OC)Br)Br)Br

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C(=C3OC)Br)Br)Br

InChI

InChI=1S/C20H16Br3N3O2S/c1-11-8-14(12-6-4-3-5-7-12)26-20(24-11)29-10-16(27)25-15-9-13(21)17(22)18(23)19(15)28-2/h3-9H,10H2,1-2H3,(H,25,27)