2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7-methoxy-4-(trifluoromethyl)quinoline IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7-methoxy-4-(trifluoromethyl)quinoline Formula: C19H13ClF3NO3S MolecularWeight: 427.82463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C(F)(F)F

InChI

InChI=1S/C19H13ClF3NO3S/c1-25-11-2-3-12-13(19(21,22)23)6-18(24-15(12)5-11)28-8-10-4-16-17(7-14(10)20)27-9-26-16/h2-7H,8-9H2,1H3