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

Systemtic Name: methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20ClF3N4O2S2 MolecularWeight: 468.94451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C(=O)OC

InChI

InChI=1S/C17H20ClF3N4O2S2/c1-4-10-8-11(15(26)27-3)14(29-10)23-16(28)22-6-5-7-25-9(2)12(18)13(24-25)17(19,20)21/h8H,4-7H2,1-3H3,(H2,22,23,28)