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

Systemtic Name: 2-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: 2-[[3-methyl-4-[3-(4-pyridylmethylsulfanyl)propylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: 2-[[3-methyl-4-[3-(pyridin-4-ylmethylthio)propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: 2-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [2-[[3-methyl-4-[3-(4-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=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSCC4=CC=NC=C4

InChI

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