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

Systemtic Name: ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20FN5O3S MolecularWeight: 429.467903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5O3S/c1-2-29-20(28)25-10-8-24(9-11-25)19(27)17-22-18(16-7-4-12-30-16)26(23-17)15-6-3-5-14(21)13-15/h3-7,12-13H,2,8-11H2,1H3