1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-quinolylthio)ethanone Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H13NO3S/c20-15(13-5-7-16-17(9-13)22-11-21-16)10-23-18-8-6-12-3-1-2-4-14(12)19-18/h1-9H,10-11H2