3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C16H21F3N4S MolecularWeight: 358.42495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C(F)(F)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C(F)(F)F)C)C(C)(C)C

InChI

InChI=1S/C16H21F3N4S/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-24-14-22-21-13(23(14)20)16(17,18)19/h6-7H,8,20H2,1-5H3