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

Systemtic Name: 2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(2-phenyl-4-quinazolinyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(2-phenylquinazolin-4-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C30H19F3N4OS MolecularWeight: 540.55827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC(=C6)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC(=C6)C(F)(F)F

InChI

InChI=1S/C30H19F3N4OS/c31-30(32,33)20-11-8-12-21(17-20)37-26(34-25-16-7-5-14-23(25)29(37)38)18-39-28-22-13-4-6-15-24(22)35-27(36-28)19-9-2-1-3-10-19/h1-17H,18H2