5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolan-2-one

Systemtic Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolan-2-one Openeye Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]tetrahydrofuran-2-one CAS Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxolanone IUPAC Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolan-2-one Traditional Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]tetrahydrofuran-2-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC1CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)OC1CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O2S/c17-11-7-6-10(18-11)8-19-13-14-12(15-16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15,16)