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

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzoate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]benzoate IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]benzoate Formula: C16H11N2O3S- MolecularWeight: 311.33514

Click to see the large picture

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)/p-1