2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone hydrobromide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone hydrobromide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone hydrobromide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(3,4-dichlorophenyl)ethanone hydrobromide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone hydrobromide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(3,4-dichlorophenyl)ethanone hydrobromide Formula: C15H10BrCl2NO2S MolecularWeight: 419.1204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl.Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl.Br

InChI

InChI=1S/C15H9Cl2NO2S.BrH/c16-10-6-5-9(7-11(10)17)13(19)8-21-15-18-12-3-1-2-4-14(12)20-15;/h1-7H,8H2;1H