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

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Openeye Name: 4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-14-12-3-1-2-4-13(12)17-16(22)18(14)9-10-5-7-11(8-6-10)15(20)21/h1-8H,9H2,(H,17,22)(H,20,21)