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

Systemtic Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Openeye Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)tetrahydrofuran-2-one CAS Name: 3-butyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-oxolanone IUPAC Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one Traditional Name: 3-butyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]tetrahydrofuran-2-one Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCC1CC(OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C11H17N3O2S/c1-2-3-4-8-5-9(16-10(8)15)6-17-11-12-7-13-14-11/h7-9H,2-6H2,1H3,(H,12,13,14)