propan-2-yl 1-ethyl-4-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C22H27FN6O2S MolecularWeight: 458.552183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H27FN6O2S/c1-6-28-12-18(20(27-28)21(30)31-13(2)3)24-22(32)25-19-14(4)26-29(15(19)5)11-16-7-9-17(23)10-8-16/h7-10,12-13H,6,11H2,1-5H3,(H2,24,25,32)