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

Systemtic Name: propan-2-yl 1-ethyl-4-(methylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(methylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[methylamino(sulfanylidene)methyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(methylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(methylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2S/c1-5-15-6-8(13-11(18)12-4)9(14-15)10(16)17-7(2)3/h6-7H,5H2,1-4H3,(H2,12,13,18)