2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-methyl-4-benzo[g]quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-methylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C21H16N2O4S/c1-23-20(27)15-8-12-4-2-3-5-13(12)9-16(15)22-21(23)28-11-19(26)14-6-7-17(24)18(25)10-14/h2-10,24-25H,11H2,1H3