3-[(3R)-2-oxidanylideneoxolan-3-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3R)-2-oxidanylideneoxolan-3-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(3R)-2-oxo-3-oxolanyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3R)-2-oxooxolan-3-yl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[(3R)-2-ketotetrahydrofuran-3-yl]thio]-1H-1,2,4-triazol-5-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1COC(=O)[C@@H]1SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C13H13N3O3S/c17-11-10(6-7-19-11)20-13-15-14-12(18)16(13)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)/t10-/m1/s1