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

Systemtic Name: methyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24BrF3N4O2S2 MolecularWeight: 553.45937

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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)Br)C3CC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C

InChI

InChI=1S/C20H24BrF3N4O2S2/c1-4-12-10(2)32-17(13(12)18(29)30-3)26-19(31)25-8-5-9-28-15(11-6-7-11)14(21)16(27-28)20(22,23)24/h11H,4-9H2,1-3H3,(H2,25,26,31)