2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)-1-(4-bromophenyl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)-1-(4-bromophenyl)ethanone Openeye Name: 2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)-1-(4-bromophenyl)ethanone CAS Name: 2-(1,3-benzoxazol-3-ium-2-ylthio)-1-(4-bromophenyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(1,3-benzoxazol-3-ium-2-ylthio)-1-(4-bromophenyl)ethanone Formula: C15H11BrNO2S+ MolecularWeight: 349.22234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H10BrNO2S/c16-11-7-5-10(6-8-11)13(18)9-20-15-17-12-3-1-2-4-14(12)19-15/h1-8H,9H2/p+1