2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]benzoic acid IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]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(N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-15-10-5-1-3-7-12(10)17-14(18-15)9-22-13-8-4-2-6-11(13)16(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19)