2-[4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutylsulfanyl]ethanol

Systemtic Name: 2-[4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutylsulfanyl]ethanol Openeye Name: 2-[4-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]oxy]butylsulfanyl]ethanol CAS Name: 2-[4-[[3-methyl-2-[(3-quinolinylamino)methyl]-4-pyridinyl]oxy]butylthio]ethanol IUPAC Name: 2-[4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutylsulfanyl]ethanol Traditional Name: 2-[4-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]oxy]butylthio]ethanol Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSCCO

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSCCO

InChI

InChI=1S/C22H27N3O2S/c1-17-21(16-24-19-14-18-6-2-3-7-20(18)25-15-19)23-9-8-22(17)27-11-4-5-12-28-13-10-26/h2-3,6-9,14-15,24,26H,4-5,10-13,16H2,1H3