methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22ClF3N4O2S2 MolecularWeight: 482.97109

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C

InChI

InChI=1S/C18H22ClF3N4O2S2/c1-5-11-10(3)30-15(12(11)16(27)28-4)24-17(29)23-7-6-8-26-9(2)13(19)14(25-26)18(20,21)22/h5-8H2,1-4H3,(H2,23,24,29)