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

Systemtic Name: propan-2-yl 1-ethyl-4-(propylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(propylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[propylamino(sulfanylidene)methyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(propylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(propylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CN(N=C1C(=O)OC(C)C)CC

Isomeric SMILES

CCCNC(=S)NC1=CN(N=C1C(=O)OC(C)C)CC

InChI

InChI=1S/C13H22N4O2S/c1-5-7-14-13(20)15-10-8-17(6-2)16-11(10)12(18)19-9(3)4/h8-9H,5-7H2,1-4H3,(H2,14,15,20)