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

Systemtic Name: N-[[3-methyl-4-[3-(pyridin-2-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[3-(2-pyridylmethylsulfanyl)propylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[3-(2-pyridinylmethylthio)propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[3-(pyridin-2-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[3-(2-pyridylmethylthio)propylthio]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C25H26N4S2 MolecularWeight: 446.63074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCC4=CC=CC=N4

InChI

InChI=1S/C25H26N4S2/c1-19-24(17-28-22-15-20-7-2-3-9-23(20)29-16-22)27-12-10-25(19)31-14-6-13-30-18-21-8-4-5-11-26-21/h2-5,7-12,15-16,28H,6,13-14,17-18H2,1H3