N-[[3-methyl-4-[2-(pyridin-4-ylmethylsulfanyl)ethoxy]pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: N-[[3-methyl-4-[2-(pyridin-4-ylmethylsulfanyl)ethoxy]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[2-(4-pyridylmethylsulfanyl)ethoxy]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[2-(pyridin-4-ylmethylthio)ethoxy]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[2-(pyridin-4-ylmethylsulfanyl)ethoxy]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[2-(4-pyridylmethylthio)ethoxy]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C24H24N4OS MolecularWeight: 416.53856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCSCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCSCC4=CC=NC=C4

InChI

InChI=1S/C24H24N4OS/c1-18-23(16-27-21-14-20-4-2-3-5-22(20)28-15-21)26-11-8-24(18)29-12-13-30-17-19-6-9-25-10-7-19/h2-11,14-15,27H,12-13,16-17H2,1H3