2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide Formula: C16H11Br3N2O3S MolecularWeight: 551.04714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3O2)Br)Br)Br

Isomeric SMILES

COC1=C(C(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3O2)Br)Br)Br

InChI

InChI=1S/C16H11Br3N2O3S/c1-23-15-10(6-8(17)13(18)14(15)19)20-12(22)7-25-16-21-9-4-2-3-5-11(9)24-16/h2-6H,7H2,1H3,(H,20,22)