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

Systemtic Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]oxolan-2-one Openeye Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-2-oxolanone IUPAC Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]oxolan-2-one Traditional Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]tetrahydrofuran-2-one Formula: C12H12N3O2S+ MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1COC(=O)C1SC2=[N+](NC=N2)C3=CC=CC=C3

InChI

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