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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2C=C(C=N2)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2C=C(C=N2)Cl)C

InChI

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