methyl 5-ethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC

InChI

InChI=1S/C13H16N4O2S2/c1-3-9-6-10(12(18)19-2)11(21-9)16-13(20)14-7-8-4-5-15-17-8/h4-6H,3,7H2,1-2H3,(H,15,17)(H2,14,16,20)