tert-butyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C17H20FN3O2S MolecularWeight: 349.423003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3O2S/c1-17(2,3)23-14(22)10-24-16-20-19-15(21(16)11-8-9-11)12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3