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

Systemtic Name: propan-2-yl 1-ethyl-4-(propan-2-ylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(isopropylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(propan-2-ylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(isopropylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O2S/c1-6-17-7-10(15-13(20)14-8(2)3)11(16-17)12(18)19-9(4)5/h7-9H,6H2,1-5H3,(H2,14,15,20)