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

Systemtic Name: 4-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]benzoate IUPAC Name: 4-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]benzoate Formula: C22H15N2O3S- MolecularWeight: 387.4311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H16N2O3S/c25-20-18-8-4-5-9-19(18)23-22(24(20)17-6-2-1-3-7-17)28-14-15-10-12-16(13-11-15)21(26)27/h1-13H,14H2,(H,26,27)/p-1