4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C15H8ClN4O4S- MolecularWeight: 375.76642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN4O4S/c16-9-5-8(13(21)12(6-9)20(23)24)7-17-19-14(22)10-3-1-2-4-11(10)18-15(19)25/h1-7,21H,(H,18,25)/p-1/b17-7-