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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(2-chloro-6-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H22ClFN2OS MolecularWeight: 452.971383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H22ClFN2OS/c1-3-16(2)17-11-13-18(14-12-17)29-24(30)19-7-4-5-10-23(19)28-25(29)31-15-20-21(26)8-6-9-22(20)27/h4-14,16H,3,15H2,1-2H3