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

Systemtic Name: 1-[2-methoxy-5-[[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: 1-[2-methoxy-5-[[2-(2H-triazol-4-ylsulfanyl)ethylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol CAS Name: 1-[2-methoxy-5-[[2-(2H-triazol-4-ylthio)ethylamino]methyl]phenoxy]-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: 1-[2-methoxy-5-[[2-(2H-triazol-4-ylsulfanyl)ethylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: 1-[2-methoxy-5-[[2-(2H-triazol-4-ylthio)ethylamino]methyl]phenoxy]-3-pyrrolidino-propan-2-ol Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCSC2=NNN=C2)OCC(CN3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCSC2=NNN=C2)OCC(CN3CCCC3)O

InChI

InChI=1S/C19H29N5O3S/c1-26-17-5-4-15(11-20-6-9-28-19-12-21-23-22-19)10-18(17)27-14-16(25)13-24-7-2-3-8-24/h4-5,10,12,16,20,25H,2-3,6-9,11,13-14H2,1H3,(H,21,22,23)