3-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C21H15F3N2O2S MolecularWeight: 416.41621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CO4

InChI

InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-6-3-5-14(11-15)13-29-20-25-18-9-2-1-8-17(18)19(27)26(20)12-16-7-4-10-28-16/h1-11H,12-13H2