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

Systemtic Name: 2-[(6-chloranyl-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-chloro-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(6-chloro-2-ethyl-4-quinazolinyl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(6-chloro-2-ethylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(6-chloro-2-ethyl-quinazolin-4-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C26H18ClF3N4OS MolecularWeight: 526.96053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CCC1=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/C26H18ClF3N4OS/c1-2-22-31-20-12-11-15(27)13-17(20)24(33-22)36-14-23-32-19-9-5-3-7-16(19)25(35)34(23)21-10-6-4-8-18(21)26(28,29)30/h3-13H,2,14H2,1H3