3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole

Systemtic Name: 3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole Openeye Name: 3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole CAS Name: 3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole IUPAC Name: 3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole Traditional Name: 3-butoxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O4S/c1-3-4-12-30-19-24-18(14-8-10-16(29-2)11-9-14)26(25-19)31(27,28)17-7-5-6-15(13-17)20(21,22)23/h5-11,13H,3-4,12H2,1-2H3