2-[(3-methylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(3-methylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(m-tolylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(3-methylphenyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(3-methylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(m-tolylthio)methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C23H17F3N2OS MolecularWeight: 426.45409

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H17F3N2OS/c1-15-6-4-9-18(12-15)30-14-21-27-20-11-3-2-10-19(20)22(29)28(21)17-8-5-7-16(13-17)23(24,25)26/h2-13H,14H2,1H3