propan-2-yl 4-[3-(diethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[3-(diethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[3-(diethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-(diethylamino)propylamino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(diethylamino)propylcarbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[3-(diethylamino)propylthiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C17H31N5O2S MolecularWeight: 369.52534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN(CC)CC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN(CC)CC

InChI

InChI=1S/C17H31N5O2S/c1-6-21(7-2)11-9-10-18-17(25)19-14-12-22(8-3)20-15(14)16(23)24-13(4)5/h12-13H,6-11H2,1-5H3,(H2,18,19,25)