2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-ethoxy-3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide Formula: C17H15BrN2O4S2 MolecularWeight: 455.346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-].Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-].Br

InChI

InChI=1S/C17H14N2O4S2.BrH/c1-2-23-15-8-7-11(9-13(15)19(21)22)14(20)10-24-17-18-12-5-3-4-6-16(12)25-17;/h3-9H,2,10H2,1H3;1H