4-(4-tert-butylphenyl)-1,3-thiazol-2-amine; 4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 4-(4-tert-butylphenyl)-1,3-thiazol-2-amine; 4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid Openeye Name: 4-(4-tert-butylphenyl)thiazol-2-amine; 4-chloro-3-(trifluoromethyl)benzenesulfonic acid CAS Name: 4-(4-tert-butylphenyl)-2-thiazolamine; 4-chloro-3-(trifluoromethyl)benzenesulfonic acid IUPAC Name: 4-(4-tert-butylphenyl)-1,3-thiazol-2-amine; 4-chloro-3-(trifluoromethyl)benzenesulfonic acid Traditional Name: [4-(4-tert-butylphenyl)thiazol-2-yl]amine; 4-chloro-3-(trifluoromethyl)besylic acid Formula: C20H20ClF3N2O3S2 MolecularWeight: 492.96261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1S(=O)(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1S(=O)(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C13H16N2S.C7H4ClF3O3S/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-12(14)15-11;8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h4-8H,1-3H3,(H2,14,15);1-3H,(H,12,13,14)