2-nitro-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Openeye Name: 2-nitro-4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenolate CAS Name: 2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Traditional Name: 4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-2-nitro-phenolate Formula: C15H9N4O4S- MolecularWeight: 341.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O4S/c20-13-6-5-9(7-12(13)19(22)23)8-16-18-14(21)10-3-1-2-4-11(10)17-15(18)24/h1-8,20H,(H,17,24)/p-1/b16-8-