4-[[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanidyl-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: 4-[[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanidyl-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: 4-[[(5E)-5-[(3-bromophenyl)methylene]-4-oxido-thiazol-2-ylidene]amino]benzoate CAS Name: 4-[[(5E)-5-[(3-bromophenyl)methylidene]-4-oxido-2-thiazolylidene]amino]benzoate IUPAC Name: 4-[[(5E)-5-[(3-bromophenyl)methylidene]-4-oxido-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 4-[[(5E)-5-(3-bromobenzylidene)-4-oxido-3-thiazolin-2-ylidene]amino]benzoate Formula: C17H9BrN2O3S-2 MolecularWeight: 401.23396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C2C(=NC(=NC3=CC=C(C=C3)C(=O)[O-])S2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/2\C(=NC(=NC3=CC=C(C=C3)C(=O)[O-])S2)[O-]

InChI

InChI=1S/C17H11BrN2O3S/c18-12-3-1-2-10(8-12)9-14-15(21)20-17(24-14)19-13-6-4-11(5-7-13)16(22)23/h1-9H,(H,22,23)(H,19,20,21)/p-2/b14-9+