2-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)quinazolin-4-olate

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)quinazolin-4-olate Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)quinazolin-4-olate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylmethylthio)-4-quinazolinolate IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)quinazolin-4-olate Traditional Name: 2-(piazthiol-4-ylmethylthio)quinazolin-4-olate Formula: C15H9N4OS2- MolecularWeight: 325.38816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=CC4=NSN=C43)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=CC4=NSN=C43)[O-]

InChI

InChI=1S/C15H10N4OS2/c20-14-10-5-1-2-6-11(10)16-15(17-14)21-8-9-4-3-7-12-13(9)19-22-18-12/h1-7H,8H2,(H,16,17,20)/p-1