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

Systemtic Name: ethyl 1-ethyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-ethyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-ethyl-3-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-ethyl-3-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S/c1-4-7-13-12(19)14-10-9(11(17)18-6-3)8-16(5-2)15-10/h8H,4-7H2,1-3H3,(H2,13,14,15,19)