5-[[(3R)-5,5-dimethyl-2-oxidanylidene-oxolan-3-yl]methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(3R)-5,5-dimethyl-2-oxidanylidene-oxolan-3-yl]methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(3R)-5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[[(3R)-5,5-dimethyl-2-oxo-3-oxolanyl]methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(3R)-2-keto-5,5-dimethyl-tetrahydrofuran-3-yl]methyl]-1H-1,2,4-triazole-3-thiolate Formula: C9H12N3O2S- MolecularWeight: 226.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)CC2=NC(=NN2)[S-])C

Isomeric SMILES

CC1(C[C@H](C(=O)O1)CC2=NC(=NN2)[S-])C

InChI

InChI=1S/C9H13N3O2S/c1-9(2)4-5(7(13)14-9)3-6-10-8(15)12-11-6/h5H,3-4H2,1-2H3,(H2,10,11,12,15)/p-1/t5-/m1/s1