4-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]benzoic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N2O3S/c25-20-18-8-4-5-9-19(18)23-22(24(20)17-6-2-1-3-7-17)28-14-15-10-12-16(13-11-15)21(26)27/h1-13H,14H2,(H,26,27)