5-[(2S,4R)-7-methyl-2-oxidanyl-octan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2S,4R)-7-methyl-2-oxidanyl-octan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1R)-1-[(2S)-2-hydroxypropyl]-4-methyl-pentyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2S,4R)-2-hydroxy-7-methyloctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2S,4R)-2-hydroxy-7-methyloctan-4-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1R)-1-[(2S)-2-hydroxypropyl]-4-methyl-pentyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H24N3OS- MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-12(2)9-10-14(11-13(3)21)16-18-19-17(22)20(16)15-7-5-4-6-8-15/h4-8,12-14,21H,9-11H2,1-3H3,(H,19,22)/p-1/t13-,14+/m0/s1