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

Systemtic Name: 4-(4-ethoxyphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethoxyphenyl)-2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethoxyphenyl)-2-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidino]methyl]-4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC(C3)O)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCC[C@H](C3)O)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5O2S/c1-2-28-19-7-5-17(6-8-19)26-20(16-9-11-22-12-10-16)23-25(21(26)29)15-24-13-3-4-18(27)14-24/h5-12,18,27H,2-4,13-15H2,1H3/t18-/m1/s1