tert-butyl 2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-[[4-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazol-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[3-[[4-(trifluoromethyl)benzyl]thio]-1,2,4-triazol-1-yl]acetic acid tert-butyl ester Formula: C16H18F3N3O2S MolecularWeight: 373.39323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O2S/c1-15(2,3)24-13(23)8-22-10-20-14(21-22)25-9-11-4-6-12(7-5-11)16(17,18)19/h4-7,10H,8-9H2,1-3H3