3-butyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]oxolan-2-one hydrobromide

Systemtic Name: 3-butyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]oxolan-2-one hydrobromide Openeye Name: 3-butyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]tetrahydrofuran-2-one hydrobromide CAS Name: 3-butyl-5-methyl-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-oxolanone hydrobromide IUPAC Name: 3-butyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one hydrobromide Traditional Name: 3-butyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]tetrahydrofuran-2-one hydrobromide Formula: C19H24BrN3O3S MolecularWeight: 454.38116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br

Isomeric SMILES

CCCCC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br

InChI

InChI=1S/C19H23N3O3S.BrH/c1-3-4-8-14-11-19(2,25-17(14)24)15(23)12-26-18-20-16(21-22-18)13-9-6-5-7-10-13;/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,20,21,22);1H