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

Systemtic Name: 5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]oxolan-2-one hydrobromide Openeye Name: 5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]tetrahydrofuran-2-one hydrobromide CAS Name: 5-methyl-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-oxolanone hydrobromide IUPAC Name: 5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one hydrobromide Traditional Name: 5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]tetrahydrofuran-2-one hydrobromide Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br

InChI

InChI=1S/C15H15N3O3S.BrH/c1-15(8-7-12(20)21-15)11(19)9-22-14-16-13(17-18-14)10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,16,17,18);1H