3-(pyridin-3-ylmethyl)-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(pyridin-3-ylmethyl)-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-pyridylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-pyridinylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(pyridin-3-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-pyridylmethyl)-2-[[4-(trifluoromethoxy)benzyl]thio]quinazolin-4-one Formula: C22H16F3N3O2S MolecularWeight: 443.44155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)CC4=CN=CC=C4

InChI

InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-17-9-7-15(8-10-17)14-31-21-27-19-6-2-1-5-18(19)20(29)28(21)13-16-4-3-11-26-12-16/h1-12H,13-14H2