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

Systemtic Name: 3-heptyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Openeye Name: 3-heptyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one CAS Name: 3-heptyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one IUPAC Name: 3-heptyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Traditional Name: 3-heptyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C=C(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCCCC1C=C(OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C14H21N3O2S/c1-2-3-4-5-6-7-11-8-12(19-13(11)18)9-20-14-15-10-16-17-14/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)