3-(4-tert-butylphenyl)-5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-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=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SC

InChI

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