[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c1-15(22(29)25-17-7-4-2-3-5-8-17)31-23(30)20-26-21(19-9-6-14-32-19)28(27-20)18-12-10-16(24)11-13-18/h6,9-15,17H,2-5,7-8H2,1H3,(H,25,29)