3-(3-chloranyl-4-methoxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C23H16ClF3N2O2S MolecularWeight: 476.89855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F)Cl

InChI

InChI=1S/C23H16ClF3N2O2S/c1-31-20-10-9-16(12-18(20)24)29-21(30)17-7-2-3-8-19(17)28-22(29)32-13-14-5-4-6-15(11-14)23(25,26)27/h2-12H,13H2,1H3