2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(3,5-dimethylphenyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(3,5-dimethylphenyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C24H19F3N2OS MolecularWeight: 440.48067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C24H19F3N2OS/c1-15-10-16(2)12-19(11-15)31-14-22-28-21-9-4-3-8-20(21)23(30)29(22)18-7-5-6-17(13-18)24(25,26)27/h3-13H,14H2,1-2H3