1-[3,4-bis(oxidanyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

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