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

Systemtic Name: 4-nitro-2-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Openeye Name: 4-nitro-2-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenolate CAS Name: 4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Traditional Name: 2-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-4-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=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

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