3-(3-chloranyl-4-methoxy-phenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[2-(methylthio)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[2-(methylthio)ethylthio]quinazolin-4-one Formula: C18H17ClN2O2S2 MolecularWeight: 392.92278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCSC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCSC)Cl

InChI

InChI=1S/C18H17ClN2O2S2/c1-23-16-8-7-12(11-14(16)19)21-17(22)13-5-3-4-6-15(13)20-18(21)25-10-9-24-2/h3-8,11H,9-10H2,1-2H3