1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone bromide Formula: C12H13BrN3O3S- MolecularWeight: 359.21892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)OC.[Br-]

InChI

InChI=1S/C12H13N3O3S.BrH/c1-17-10-4-3-8(5-11(10)18-2)9(16)6-19-12-13-7-14-15-12;/h3-5,7H,6H2,1-2H3,(H,13,14,15);1H/p-1