4-oxidanylidene-3-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C14H8N3O3S- MolecularWeight: 298.29662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1=CC(=CN=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C14H9N3O3S/c18-12-10-4-3-8(13(19)20)6-11(10)16-14(21)17(12)9-2-1-5-15-7-9/h1-7H,(H,16,21)(H,19,20)/p-1