3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one

Systemtic Name: 3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Openeye Name: 3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one CAS Name: 3-hexyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one IUPAC Name: 3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Traditional Name: 3-hexyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=C(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCCC1C=C(OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C13H19N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h7,9-10H,2-6,8H2,1H3,(H,14,15,16)