methyl 4,5-dimethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-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:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NN2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NN2)C

InChI

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