S-(5-phenyl-1H-1,2,4-triazol-3-yl) 2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)ethanethioate

Systemtic Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) 2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)ethanethioate Openeye Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) 2-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)ethanethioate CAS Name: 2-(2-methyl-5-oxo-4-propyl-2-oxolanyl)ethanethioic acid S-(5-phenyl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) 2-(2-methyl-5-oxo-4-propyloxolan-2-yl)ethanethioate Traditional Name: 2-(5-keto-2-methyl-4-propyl-tetrahydrofuran-2-yl)ethanethioic acid S-(5-phenyl-1H-1,2,4-triazol-3-yl) ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)CC(=O)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCC1CC(OC1=O)(C)CC(=O)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-3-7-13-10-18(2,24-16(13)23)11-14(22)25-17-19-15(20-21-17)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,19,20,21)