2-(2,1,3-benzothiadiazol-4-yliminomethyl)-3-bromanyl-6-methoxy-phenolate

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-3-bromanyl-6-methoxy-phenolate Openeye Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-3-bromo-6-methoxy-phenolate CAS Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-3-bromo-6-methoxyphenolate IUPAC Name: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-3-bromo-6-methoxyphenolate Traditional Name: 3-bromo-6-methoxy-2-(piazthiol-4-yliminomethyl)phenolate Formula: C14H9BrN3O2S- MolecularWeight: 363.20916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)C=NC2=CC=CC3=NSN=C32)[O-]

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)C=NC2=CC=CC3=NSN=C32)[O-]

InChI

InChI=1S/C14H10BrN3O2S/c1-20-12-6-5-9(15)8(14(12)19)7-16-10-3-2-4-11-13(10)18-21-17-11/h2-7,19H,1H3/p-1