2-[3-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]sulfanylpropylsulfanyl]ethanol

Systemtic Name: 2-[3-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]sulfanylpropylsulfanyl]ethanol Openeye Name: 2-[3-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]sulfanyl]propylsulfanyl]ethanol CAS Name: 2-[3-[[3-methyl-2-[(3-quinolinylamino)methyl]-4-pyridinyl]thio]propylthio]ethanol IUPAC Name: 2-[3-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]sulfanylpropylsulfanyl]ethanol Traditional Name: 2-[3-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]thio]propylthio]ethanol Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCCO

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCCO

InChI

InChI=1S/C21H25N3OS2/c1-16-20(22-8-7-21(16)27-11-4-10-26-12-9-25)15-23-18-13-17-5-2-3-6-19(17)24-14-18/h2-3,5-8,13-14,23,25H,4,9-12,15H2,1H3