2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H15ClN2O4S/c1-2-7-22-18(26)13-9-12(20)4-5-14(13)21-19(22)27-10-17(25)11-3-6-15(23)16(24)8-11/h2-6,8-9,23-24H,1,7,10H2