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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine bromide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(4-nitrophenyl)-3-phenyl-thiazol-2-imine bromide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-2-thiazolimine bromide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-nitrophenyl)-3-phenyl-1,3-thiazol-2-imine bromide Traditional Name: (Z)-[4-(4-nitrophenyl)-3-phenyl-4-thiazolin-2-ylidene]-[(E)-piperonylideneamino]amine bromide Formula: C23H16BrN4O4S- MolecularWeight: 524.36654

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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)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C23H16N4O4S.BrH/c28-27(29)19-9-7-17(8-10-19)20-14-32-23(26(20)18-4-2-1-3-5-18)25-24-13-16-6-11-21-22(12-16)31-15-30-21;/h1-14H,15H2;1H/p-1/b24-13+,25-23-;