4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoic acid CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoic acid Formula: C15H10N2O3S MolecularWeight: 298.3165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H10N2O3S/c18-13-11-3-1-2-4-12(11)16-15(21)17(13)10-7-5-9(6-8-10)14(19)20/h1-8H,(H,16,21)(H,19,20)