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

Systemtic Name: 5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]oxolan-2-one Openeye Name: 3-isobutyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]tetrahydrofuran-2-one CAS Name: 5-methyl-3-(2-methylpropyl)-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-oxolanone IUPAC Name: 5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one Traditional Name: 3-isobutyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]tetrahydrofuran-2-one Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S/c1-12(2)9-14-10-19(3,25-17(14)24)15(23)11-26-18-20-16(21-22-18)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,20,21,22)