5-[(2R,4R)-2-oxidanyl-1-propoxy-octan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2R,4R)-2-oxidanyl-1-propoxy-octan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1R)-1-[(2R)-2-hydroxy-3-propoxy-propyl]pentyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2R,4R)-2-hydroxy-1-propoxyoctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2R,4R)-2-hydroxy-1-propoxyoctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1R)-1-[(2R)-2-hydroxy-3-propoxy-propyl]pentyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C19H28N3O2S- MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-3-5-9-15(13-17(23)14-24-12-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h6-8,10-11,15,17,23H,3-5,9,12-14H2,1-2H3,(H,21,25)/p-1/t15-,17-/m1/s1