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

Systemtic Name: propan-2-yl 4-(butylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-(butylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[butylamino(sulfanylidene)methyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(butylcarbamothioylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 4-(butylthiocarbamoylamino)-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O2S/c1-5-7-8-15-14(21)16-11-9-18(6-2)17-12(11)13(19)20-10(3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,21)