5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]oxolan-2-one hydrobromide

Systemtic Name: 5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]oxolan-2-one hydrobromide Openeye Name: 5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]tetrahydrofuran-2-one hydrobromide CAS Name: 5-methyl-5-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-2-oxolanone hydrobromide IUPAC Name: 5-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]oxolan-2-one hydrobromide Traditional Name: 5-methyl-5-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]tetrahydrofuran-2-one hydrobromide Formula: C9H12BrN3O3S MolecularWeight: 322.17888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)CSC2=NC=NN2.Br

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)CSC2=NC=NN2.Br

InChI

InChI=1S/C9H11N3O3S.BrH/c1-9(3-2-7(14)15-9)6(13)4-16-8-10-5-11-12-8;/h5H,2-4H2,1H3,(H,10,11,12);1H