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

Systemtic Name: methyl 4-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]butanoate Traditional Name: 4-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butyric acid methyl ester Formula: C18H17FN4O3S MolecularWeight: 388.415983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN4O3S/c1-26-15(24)5-2-10-20-18(25)16-21-17(14-4-3-11-27-14)23(22-16)13-8-6-12(19)7-9-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,25)