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

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O3S/c1-29-21(28)15-5-2-3-6-16(15)23-20(27)18-24-19(17-7-4-12-30-17)26(25-18)14-10-8-13(22)9-11-14/h2-12H,1H3,(H,23,27)