2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(bromanyl)-3-methoxy-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4,6-tris(bromanyl)-3-methoxy-phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4,6-tribromo-3-methoxy-phenyl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,4,6-tribromo-3-methoxyphenyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4,6-tribromo-3-methoxyphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,4,6-tribromo-3-methoxy-phenyl)acetamide Formula: C16H11Br3N2O3S MolecularWeight: 551.04714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1Br)NC(=O)CSC2=NC3=CC=CC=C3O2)Br)Br

Isomeric SMILES

COC1=C(C=C(C(=C1Br)NC(=O)CSC2=NC3=CC=CC=C3O2)Br)Br

InChI

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