3-methylsulfanyl-4-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanyl-quinoline

Systemtic Name: 3-methylsulfanyl-4-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanyl-quinoline Openeye Name: 4-benzylsulfanyl-3-[(3-methylsulfanyl-4-quinolyl)sulfanyl]quinoline CAS Name: 3-(methylthio)-4-[[4-(phenylmethylthio)-3-quinolinyl]thio]quinoline IUPAC Name: 4-benzylsulfanyl-3-(3-methylsulfanylquinolin-4-yl)sulfanylquinoline Traditional Name: 4-(benzylthio)-3-[[3-(methylthio)-4-quinolyl]thio]quinoline Formula: C26H20N2S3 MolecularWeight: 456.6454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2N=C1)SC3=C(C4=CC=CC=C4N=C3)SCC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C2=CC=CC=C2N=C1)SC3=C(C4=CC=CC=C4N=C3)SCC5=CC=CC=C5

InChI

InChI=1S/C26H20N2S3/c1-29-23-15-27-22-14-8-6-12-20(22)26(23)31-24-16-28-21-13-7-5-11-19(21)25(24)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3