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

Systemtic Name: 2-(quinazolin-4-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(quinazolin-4-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(4-quinazolinylthio)methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(quinazolin-4-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(quinazolin-4-ylthio)methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C24H15F3N4OS MolecularWeight: 464.46231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C24H15F3N4OS/c25-24(26,27)15-6-5-7-16(12-15)31-21(30-20-11-4-2-9-18(20)23(31)32)13-33-22-17-8-1-3-10-19(17)28-14-29-22/h1-12,14H,13H2