4-[(4-methylquinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-methylquinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-methylquinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-2-quinazolinyl)thio]methyl]benzoate IUPAC Name: 4-[(4-methylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methylquinazolin-2-yl)thio]methyl]benzoate Formula: C17H13N2O2S- MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O2S/c1-11-14-4-2-3-5-15(14)19-17(18-11)22-10-12-6-8-13(9-7-12)16(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1