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

Systemtic Name: 4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]benzoate Formula: C16H10N3O3S- MolecularWeight: 324.3339

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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)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S/c20-14-12-3-1-2-4-13(12)18-16(23)19(14)17-9-10-5-7-11(8-6-10)15(21)22/h1-9H,(H,18,23)(H,21,22)/p-1/b17-9-