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

Systemtic Name: 4-[[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid Formula: C22H15ClN2O3S MolecularWeight: 422.8841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN2O3S/c23-16-9-11-17(12-10-16)25-20(26)18-3-1-2-4-19(18)24-22(25)29-13-14-5-7-15(8-6-14)21(27)28/h1-12H,13H2,(H,27,28)