7-chloranyl-3-(3-methoxypropyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[[4-(methylthio)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(3-methoxypropyl)-2-[[4-(methylthio)benzyl]thio]quinazolin-4-one Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)SC

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21ClN2O2S2/c1-25-11-3-10-23-19(24)17-9-6-15(21)12-18(17)22-20(23)27-13-14-4-7-16(26-2)8-5-14/h4-9,12H,3,10-11,13H2,1-2H3