4-(2-methylpropyl)-5-[(2S)-2-oxidanylpropyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-methylpropyl)-5-[(2S)-2-oxidanylpropyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2S)-2-hydroxypropyl]-4-isobutyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2S)-2-hydroxypropyl]-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2S)-2-hydroxypropyl]-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2S)-2-hydroxypropyl]-4-isobutyl-1,2,4-triazole-3-thiolate Formula: C9H16N3OS- MolecularWeight: 214.30784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1[S-])CC(C)O

Isomeric SMILES

C[C@@H](CC1=NN=C(N1CC(C)C)[S-])O

InChI

InChI=1S/C9H17N3OS/c1-6(2)5-12-8(4-7(3)13)10-11-9(12)14/h6-7,13H,4-5H2,1-3H3,(H,11,14)/p-1/t7-/m0/s1