3-[3-(phenylmethylsulfanyl)quinolin-4-yl]sulfanyl-1H-quinolin-4-one

Systemtic Name: 3-[3-(phenylmethylsulfanyl)quinolin-4-yl]sulfanyl-1H-quinolin-4-one Openeye Name: 3-[(3-benzylsulfanyl-4-quinolyl)sulfanyl]-1H-quinolin-4-one CAS Name: 3-[[3-(phenylmethylthio)-4-quinolinyl]thio]-1H-quinolin-4-one IUPAC Name: 3-(3-benzylsulfanylquinolin-4-yl)sulfanyl-1H-quinolin-4-one Traditional Name: 3-[[3-(benzylthio)-4-quinolyl]thio]-4-quinolone Formula: C25H18N2OS2 MolecularWeight: 426.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C3=CC=CC=C3N=C2)SC4=CNC5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C3=CC=CC=C3N=C2)SC4=CNC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18N2OS2/c28-24-18-10-4-6-12-20(18)26-14-22(24)30-25-19-11-5-7-13-21(19)27-15-23(25)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,26,28)