2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C23H18ClFN2OS MolecularWeight: 424.918223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H18ClFN2OS/c1-15-9-11-16(12-10-15)13-27-22(28)17-5-2-3-8-21(17)26-23(27)29-14-18-19(24)6-4-7-20(18)25/h2-12H,13-14H2,1H3