ethyl 1-propyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCC

Isomeric SMILES

CCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCC

InChI

InChI=1S/C13H22N4O2S/c1-4-7-14-13(20)15-11-10(12(18)19-6-3)9-17(16-11)8-5-2/h9H,4-8H2,1-3H3,(H2,14,15,16,20)