2-[(2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(2-isopropylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(2-propan-2-yl-4-quinazolinyl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(2-isopropylquinazolin-4-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C27H21F3N4OS MolecularWeight: 506.54205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C27H21F3N4OS/c1-16(2)24-32-20-12-6-3-9-17(20)25(33-24)36-15-23-31-21-13-7-4-10-18(21)26(35)34(23)22-14-8-5-11-19(22)27(28,29)30/h3-14,16H,15H2,1-2H3