N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-fluorophenyl)-3-phenyl-1,3-thiazol-2-imine hydrobromide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-fluorophenyl)-3-phenyl-1,3-thiazol-2-imine hydrobromide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(4-fluorophenyl)-3-phenyl-thiazol-2-imine hydrobromide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-fluorophenyl)-3-phenyl-2-thiazolimine hydrobromide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-fluorophenyl)-3-phenyl-1,3-thiazol-2-imine hydrobromide Traditional Name: (E)-[4-(4-fluorophenyl)-3-phenyl-4-thiazolin-2-ylidene]-[(E)-piperonylideneamino]amine hydrobromide Formula: C23H17BrFN3O2S MolecularWeight: 498.367383

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN=C3N(C(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N=C/3\N(C(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Br

InChI

InChI=1S/C23H16FN3O2S.BrH/c24-18-9-7-17(8-10-18)20-14-30-23(27(20)19-4-2-1-3-5-19)26-25-13-16-6-11-21-22(12-16)29-15-28-21;/h1-14H,15H2;1H/b25-13+,26-23+;