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

Systemtic Name: (3S)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-oxolanone IUPAC Name: (3S)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]tetrahydrofuran-2-one Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1COC(=O)[C@H]1SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C12H11N3O2S/c16-11-9(6-7-17-11)18-12-13-10(14-15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14,15)/t9-/m0/s1