5-hexyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one

Systemtic Name: 5-hexyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Openeye Name: 5-hexyl-3-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one CAS Name: 5-hexyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one IUPAC Name: 5-hexyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Traditional Name: 5-hexyl-3-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(C(=O)O1)CCC2=NC(=S)NN2

Isomeric SMILES

CCCCCCC1=CC(C(=O)O1)CCC2=NC(=S)NN2

InChI

InChI=1S/C14H21N3O2S/c1-2-3-4-5-6-11-9-10(13(18)19-11)7-8-12-15-14(20)17-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,20)