4-(2,6-diethylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-[[(3R)-3-hydroxypiperidino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCCC(C3)O)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCC[C@H](C3)O)C4=CN=CC=C4

InChI

InChI=1S/C23H29N5OS/c1-3-17-8-5-9-18(4-2)21(17)28-22(19-10-6-12-24-14-19)25-27(23(28)30)16-26-13-7-11-20(29)15-26/h5-6,8-10,12,14,20,29H,3-4,7,11,13,15-16H2,1-2H3/t20-/m1/s1