2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methoxy-4-phenyl-quinoline

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methoxy-4-phenyl-quinoline Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methoxy-4-phenyl-quinoline CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-7-methoxy-4-phenylquinoline IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methoxy-4-phenylquinoline Traditional Name: 7-methoxy-4-phenyl-2-(piperonylthio)quinoline Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H19NO3S/c1-26-18-8-9-19-20(17-5-3-2-4-6-17)13-24(25-21(19)12-18)29-14-16-7-10-22-23(11-16)28-15-27-22/h2-13H,14-15H2,1H3