(3R,5S)-3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one

Systemtic Name: (3R,5S)-3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Openeye Name: (3R,5S)-3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrahydrofuran-2-one CAS Name: (3R,5S)-3-hexyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-oxolanone IUPAC Name: (3R,5S)-3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Traditional Name: (3R,5S)-3-hexyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]tetrahydrofuran-2-one Formula: C13H21N3O2S MolecularWeight: 283.38974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCC[C@@H]1C[C@H](OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C13H21N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h9-11H,2-8H2,1H3,(H,14,15,16)/t10-,11+/m1/s1