2-[(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-chloro-2-isopropyl-quinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(6-chloro-2-propan-2-yl-4-quinazolinyl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(6-chloro-2-isopropyl-quinazolin-4-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C27H20ClF3N4OS MolecularWeight: 540.98711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C27H20ClF3N4OS/c1-15(2)24-33-21-12-11-16(28)13-18(21)25(34-24)37-14-23-32-20-9-5-3-7-17(20)26(36)35(23)22-10-6-4-8-19(22)27(29,30)31/h3-13,15H,14H2,1-2H3