3-[(4-tert-butylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C14H17F3N4S MolecularWeight: 330.37179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C14H17F3N4S/c1-13(2,3)10-6-4-9(5-7-10)8-22-12-20-19-11(21(12)18)14(15,16)17/h4-7H,8,18H2,1-3H3