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

Systemtic Name: 4,5-bis(4-methylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidinyl]methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidino]methyl]-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)CN4CCCC(C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)CN4CCC[C@H](C4)O

InChI

InChI=1S/C22H26N4OS/c1-16-5-9-18(10-6-16)21-23-25(15-24-13-3-4-20(27)14-24)22(28)26(21)19-11-7-17(2)8-12-19/h5-12,20,27H,3-4,13-15H2,1-2H3/t20-/m1/s1