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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-imine bromide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(4-bromophenyl)-3-phenyl-thiazol-2-imine bromide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-3-phenyl-2-thiazolimine bromide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-imine bromide Traditional Name: (E)-[4-(4-bromophenyl)-3-phenyl-4-thiazolin-2-ylidene]-[(E)-piperonylideneamino]amine bromide Formula: C23H16Br2N3O2S- MolecularWeight: 558.26504

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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)Br)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)Br)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C23H16BrN3O2S.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/p-1/b25-13+,26-23+;