2-(1,3-benzothiazol-2-yldiazenyl)-5-(dimethylamino)benzoate

Systemtic Name: 2-(1,3-benzothiazol-2-yldiazenyl)-5-(dimethylamino)benzoate Openeye Name: 2-(1,3-benzothiazol-2-ylazo)-5-(dimethylamino)benzoate CAS Name: 2-(1,3-benzothiazol-2-ylazo)-5-(dimethylamino)benzoate IUPAC Name: 2-(1,3-benzothiazol-2-yldiazenyl)-5-(dimethylamino)benzoate Traditional Name: 2-(1,3-benzothiazol-2-ylazo)-5-(dimethylamino)benzoate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-20(2)10-7-8-12(11(9-10)15(21)22)18-19-16-17-13-5-3-4-6-14(13)23-16/h3-9H,1-2H3,(H,21,22)/p-1