tert-butyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H24FN5O3S MolecularWeight: 457.521063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN5O3S/c1-22(2,3)31-21(30)27-11-9-26(10-12-27)20(29)18-24-19(17-8-5-13-32-17)28(25-18)16-7-4-6-15(23)14-16/h4-8,13-14H,9-12H2,1-3H3