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

Systemtic Name: propan-2-yl 1-ethyl-4-(ethylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(ethylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[ethylamino(sulfanylidene)methyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(ethylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(ethylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S/c1-5-13-12(19)14-9-7-16(6-2)15-10(9)11(17)18-8(3)4/h7-8H,5-6H2,1-4H3,(H2,13,14,19)