5-(4-tert-butylphenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 5-(4-tert-butylphenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-1-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-1-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole Formula: C20H20F3N3S MolecularWeight: 391.45311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C20H20F3N3S/c1-19(2,3)14-7-5-13(6-8-14)17-24-18(20(21,22)23)25-26(17)15-9-11-16(27-4)12-10-15/h5-12H,1-4H3