azanium 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate

Systemtic Name: azanium 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate Openeye Name: ammonium 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzenesulfonate CAS Name: ammonium 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate IUPAC Name: azanium 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate Traditional Name: ammonium 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)besylate Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C14H10N2O4S2.H3N/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20;/h1-8H,(H,15,21)(H,18,19,20);1H3