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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCCC(C3)O

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC[C@H](C3)O

InChI

InChI=1S/C16H22N4OS/c1-13-17-20(12-18-9-5-8-15(21)11-18)16(22)19(13)10-14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-12H2,1H3/t15-/m1/s1