methyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chloro-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chloropyrazol-1-yl)ethylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H17ClN4O2S2 MolecularWeight: 372.89338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCN2C=C(C=N2)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCN2C=C(C=N2)Cl)C(=O)OC

InChI

InChI=1S/C14H17ClN4O2S2/c1-3-10-6-11(13(20)21-2)12(23-10)18-14(22)16-4-5-19-8-9(15)7-17-19/h6-8H,3-5H2,1-2H3,(H2,16,18,22)