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

Systemtic Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-3-yl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=NN(C(=C2)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=NN(C(=C2)C)C)C

InChI

InChI=1S/C16H22N4O2S2/c1-6-11-10(4)24-14(13(11)15(21)22-7-2)18-16(23)17-12-8-9(3)20(5)19-12/h8H,6-7H2,1-5H3,(H2,17,18,19,23)