3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine CAS Name: 3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)phenyl]methylthio]pyridazine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-[[3-(trifluoromethyl)benzyl]thio]pyridazine Formula: C19H13F3N2O2S MolecularWeight: 390.37893

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N2O2S/c20-19(21,22)14-3-1-2-12(8-14)10-27-18-7-5-15(23-24-18)13-4-6-16-17(9-13)26-11-25-16/h1-9H,10-11H2