5-(5-chloranyl-2-methoxy-phenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(3R)-3-hydroxypiperidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C15H19ClN4O2S MolecularWeight: 354.85496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCCC(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC[C@H](C3)O

InChI

InChI=1S/C15H19ClN4O2S/c1-22-13-5-4-10(16)7-12(13)14-17-15(23)20(18-14)9-19-6-2-3-11(21)8-19/h4-5,7,11,21H,2-3,6,8-9H2,1H3,(H,17,18,23)/t11-/m1/s1