3-pentyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one

Systemtic Name: 3-pentyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Openeye Name: 3-pentyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrahydrofuran-2-one CAS Name: 3-pentyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-oxolanone IUPAC Name: 3-pentyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Traditional Name: 3-amyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]tetrahydrofuran-2-one Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCC1CC(OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C12H19N3O2S/c1-2-3-4-5-9-6-10(17-11(9)16)7-18-12-13-8-14-15-12/h8-10H,2-7H2,1H3,(H,13,14,15)