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

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2,4,6-tris(bromanyl)-3-methoxy-phenyl]ethanamide Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2,4,6-tribromo-3-methoxy-phenyl)acetamide CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2,4,6-tribromo-3-methoxyphenyl)acetamide IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2,4,6-tribromo-3-methoxyphenyl)acetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-(2,4,6-tribromo-3-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=C(C(=C(C=C3Br)Br)OC)Br

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C(=C(C=C3Br)Br)OC)Br

InChI

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