4-(3-methylbutylsulfanyl)-3-quinolin-2-yl-quinoline

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-quinolin-2-yl-quinoline Openeye Name: 4-isopentylsulfanyl-3-(2-quinolyl)quinoline CAS Name: 4-(3-methylbutylthio)-3-(2-quinolinyl)quinoline IUPAC Name: 4-(3-methylbutylsulfanyl)-3-quinolin-2-ylquinoline Traditional Name: 4-(isoamylthio)-3-(2-quinolyl)quinoline Formula: C23H22N2S MolecularWeight: 358.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CCSC1=C(C=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N2S/c1-16(2)13-14-26-23-18-8-4-6-10-21(18)24-15-19(23)22-12-11-17-7-3-5-9-20(17)25-22/h3-12,15-16H,13-14H2,1-2H3