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

Systemtic Name: methyl 5-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC

InChI

InChI=1S/C12H14N4O2S2/c1-7-5-9(11(17)18-2)10(20-7)15-12(19)13-6-8-3-4-14-16-8/h3-5H,6H2,1-2H3,(H,14,16)(H2,13,15,19)