ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]benzoic acid ethyl ester Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H17FN4O3S/c1-2-30-22(29)14-8-10-16(11-9-14)24-21(28)19-25-20(18-7-4-12-31-18)27(26-19)17-6-3-5-15(23)13-17/h3-13H,2H2,1H3,(H,24,28)