3-(4-butan-2-ylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-sec-butylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-sec-butylphenyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C26H23F3N2OS MolecularWeight: 468.53383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23F3N2OS/c1-3-17(2)19-11-13-21(14-12-19)31-24(32)22-9-4-5-10-23(22)30-25(31)33-16-18-7-6-8-20(15-18)26(27,28)29/h4-15,17H,3,16H2,1-2H3