2-(1,3-benzodioxol-5-yl)-5-[(5-chloranylquinolin-8-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-chloranylquinolin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-chloro-8-quinolyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-chloro-8-quinolinyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-chloroquinolin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-chloro-8-quinolyl)methylthio]-1,3,4-oxadiazole Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C19H12ClN3O3S/c20-14-5-3-12(17-13(14)2-1-7-21-17)9-27-19-23-22-18(26-19)11-4-6-15-16(8-11)25-10-24-15/h1-8H,9-10H2