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

Systemtic Name: 2-[4-[(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-methylsulfanyl-4-oxo-quinazolin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-(methylthio)-4-oxo-3-quinazolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-methylsulfanyl-4-oxoquinazolin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-keto-2-(methylthio)quinazolin-3-yl]methyl]phenyl]benzoic acid Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H18N2O3S/c1-29-23-24-20-9-5-4-8-19(20)21(26)25(23)14-15-10-12-16(13-11-15)17-6-2-3-7-18(17)22(27)28/h2-13H,14H2,1H3,(H,27,28)