ethyl 1-ethyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-ethyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-ethyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-ethyl-3-[[(hexylamino)-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-ethyl-3-(hexylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C15H26N4O2S MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC

Isomeric SMILES

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC

InChI

InChI=1S/C15H26N4O2S/c1-4-7-8-9-10-16-15(22)17-13-12(14(20)21-6-3)11-19(5-2)18-13/h11H,4-10H2,1-3H3,(H2,16,17,18,22)