methyl 4,5-dimethyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]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)NC2=NN(C=C2)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C)C

InChI

InChI=1S/C13H16N4O2S2/c1-7-8(2)21-11(10(7)12(18)19-4)15-13(20)14-9-5-6-17(3)16-9/h5-6H,1-4H3,(H2,14,15,16,20)