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

Systemtic Name: N-[[3-methyl-4-[4-(pyridin-4-ylmethylsulfanyl)butylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[4-(4-pyridylmethylsulfanyl)butylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[4-(pyridin-4-ylmethylthio)butylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[4-(pyridin-4-ylmethylsulfanyl)butylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[4-(4-pyridylmethylthio)butylthio]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C26H28N4S2 MolecularWeight: 460.65732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCCSCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCCSCC4=CC=NC=C4

InChI

InChI=1S/C26H28N4S2/c1-20-25(18-29-23-16-22-6-2-3-7-24(22)30-17-23)28-13-10-26(20)32-15-5-4-14-31-19-21-8-11-27-12-9-21/h2-3,6-13,16-17,29H,4-5,14-15,18-19H2,1H3