methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2)C)C(=O)OC

InChI

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