2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7-methoxy-3-phenylquinoline IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-3-phenylquinoline Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7-methoxy-3-phenyl-quinoline Formula: C24H18ClNO3S MolecularWeight: 435.92262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C24H18ClNO3S/c1-27-18-8-7-16-9-19(15-5-3-2-4-6-15)24(26-21(16)11-18)30-13-17-10-22-23(12-20(17)25)29-14-28-22/h2-12H,13-14H2,1H3