tert-butyl N-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]carbamate

Systemtic Name: tert-butyl N-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]carbamate Openeye Name: tert-butyl N-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]carbamate CAS Name: N-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]carbamate Traditional Name: N-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]carbamic acid tert-butyl ester Formula: C18H18FN5O3S MolecularWeight: 403.430623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5O3S/c1-18(2,3)27-17(26)22-21-16(25)14-20-15(13-5-4-10-28-13)24(23-14)12-8-6-11(19)7-9-12/h4-10H,1-3H3,(H,21,25)(H,22,26)