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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCCC(C3)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCC[C@H](C3)O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4OS/c1-16-10-11-19(13-17(16)2)26-21(18-7-4-3-5-8-18)23-25(22(26)28)15-24-12-6-9-20(27)14-24/h3-5,7-8,10-11,13,20,27H,6,9,12,14-15H2,1-2H3/t20-/m1/s1