6-ethyl-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromone Formula: C20H14F3N3O3 MolecularWeight: 401.33867

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NN=CN3C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NN=CN3C4=CC=CC=C4)O

InChI

InChI=1S/C20H14F3N3O3/c1-2-11-8-13-15(9-14(11)27)29-18(20(21,22)23)16(17(13)28)19-25-24-10-26(19)12-6-4-3-5-7-12/h3-10,27H,2H2,1H3