1-[3,4-bis(oxidanyl)phenyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-1-(3,4-dihydroxyphenyl)ethanone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C19H16N2O3S/c22-15-8-7-12(9-16(15)23)17(24)10-25-19-13-3-1-2-4-14(13)20-18(21-19)11-5-6-11/h1-4,7-9,11,22-23H,5-6,10H2