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

Systemtic Name: tert-butyl 2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-allyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-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(N1CC=C)C2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2F

InChI

InChI=1S/C17H20FN3O2S/c1-5-10-21-15(12-8-6-7-9-13(12)18)19-20-16(21)24-11-14(22)23-17(2,3)4/h5-9H,1,10-11H2,2-4H3