2-[(7-bromanyl-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(7-bromanyl-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4-olate Openeye Name: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4-olate CAS Name: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)thio]-4-quinazolinolate IUPAC Name: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4-olate Traditional Name: 2-[(7-bromo-5-nitro-piazthiol-4-yl)thio]quinazolin-4-olate Formula: C14H5BrN5O3S2- MolecularWeight: 435.2552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SC3=C(C=C(C4=NSN=C34)Br)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SC3=C(C=C(C4=NSN=C34)Br)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H6BrN5O3S2/c15-7-5-9(20(22)23)12(11-10(7)18-25-19-11)24-14-16-8-4-2-1-3-6(8)13(21)17-14/h1-5H,(H,16,17,21)/p-1