1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone hydrobromide

Systemtic Name: 1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone hydrobromide Openeye Name: 1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone hydrobromide CAS Name: 1-phenyl-2-(1H-1,2,4-triazol-5-ylthio)ethanone hydrobromide IUPAC Name: 1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone hydrobromide Traditional Name: 1-phenyl-2-(1H-1,2,4-triazol-5-ylthio)ethanone hydrobromide Formula: C10H10BrN3OS MolecularWeight: 300.1749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=NN2.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=NN2.Br

InChI

InChI=1S/C10H9N3OS.BrH/c14-9(8-4-2-1-3-5-8)6-15-10-11-7-12-13-10;/h1-5,7H,6H2,(H,11,12,13);1H