1-piperidin-1-yl-3-[2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylamino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-piperidin-1-yl-3-[2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(1-piperidyl)-3-[2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-piperidinyl)-3-[2-[[2-(1H-1,2,4-triazol-5-ylthio)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-piperidin-1-yl-3-[2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-piperidino-3-[2-[[2-(1H-1,2,4-triazol-5-ylthio)ethylamino]methyl]phenoxy]propan-2-ol Formula: C19H29N5O2S MolecularWeight: 391.53086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=CC=C2CNCCSC3=NC=NN3)O

Isomeric SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2CNCCSC3=NC=NN3)O

InChI

InChI=1S/C19H29N5O2S/c25-17(13-24-9-4-1-5-10-24)14-26-18-7-3-2-6-16(18)12-20-8-11-27-19-21-15-22-23-19/h2-3,6-7,15,17,20,25H,1,4-5,8-14H2,(H,21,22,23)