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

Systemtic Name: 5-(4-ethylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[(3R)-3-hydroxypiperidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC(C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC[C@H](C3)O

InChI

InChI=1S/C16H22N4OS/c1-2-12-5-7-13(8-6-12)15-17-16(22)20(18-15)11-19-9-3-4-14(21)10-19/h5-8,14,21H,2-4,9-11H2,1H3,(H,17,18,22)/t14-/m1/s1