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

Systemtic Name: 3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-thienylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-thenyl)-2-[[4-(trifluoromethoxy)benzyl]thio]quinazolin-4-one Formula: C21H15F3N2O2S2 MolecularWeight: 448.48121

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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=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)CC4=CC=CS4

InChI

InChI=1S/C21H15F3N2O2S2/c22-21(23,24)28-15-9-7-14(8-10-15)13-30-20-25-18-6-2-1-5-17(18)19(27)26(20)12-16-4-3-11-29-16/h1-11H,12-13H2