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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCOC2=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2CCOC2=O)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O2S/c1-16-11(9-5-3-2-4-6-9)14-15-13(16)19-10-7-8-18-12(10)17/h2-6,10H,7-8H2,1H3