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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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