3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]benzoate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

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