3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(2-chloro-6-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H21Cl2FN2OS MolecularWeight: 487.416443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H21Cl2FN2OS/c1-3-15(2)16-7-10-18(11-8-16)30-24(31)19-12-9-17(26)13-23(19)29-25(30)32-14-20-21(27)5-4-6-22(20)28/h4-13,15H,3,14H2,1-2H3