5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one

Systemtic Name: 5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one Openeye Name: 5-hexyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]tetrahydrofuran-2-one CAS Name: 5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]-2-oxolanone IUPAC Name: 5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one Traditional Name: 5-hexyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]tetrahydrofuran-2-one Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(=O)O1)CC2=NC(=S)NN2

Isomeric SMILES

CCCCCCC1CC(C(=O)O1)CC2=NC(=S)NN2

InChI

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