5-[(2S,4R)-2-oxidanyloctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2S,4R)-2-oxidanyloctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1R)-1-[(2S)-2-hydroxypropyl]pentyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2S,4R)-2-hydroxyoctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2S,4R)-2-hydroxyoctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1R)-1-[(2S)-2-hydroxypropyl]pentyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H22N3OS- MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)O)C1=NN=C(N1C2=CC=CC=C2)[S-]

Isomeric SMILES

CCCC[C@H](C[C@H](C)O)C1=NN=C(N1C2=CC=CC=C2)[S-]

InChI

InChI=1S/C16H23N3OS/c1-3-4-8-13(11-12(2)20)15-17-18-16(21)19(15)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,3-4,8,11H2,1-2H3,(H,18,21)/p-1/t12-,13+/m0/s1