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

Systemtic Name: propan-2-yl 1-ethyl-4-(oxolan-2-ylmethylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(oxolan-2-ylmethylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(tetrahydrofurfurylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC2CCCO2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC2CCCO2

InChI

InChI=1S/C15H24N4O3S/c1-4-19-9-12(13(18-19)14(20)22-10(2)3)17-15(23)16-8-11-6-5-7-21-11/h9-11H,4-8H2,1-3H3,(H2,16,17,23)