dimethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H20BrF3N4O4S2 MolecularWeight: 557.40501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

InChI

InChI=1S/C18H20BrF3N4O4S2/c1-8-10(15(27)29-3)14(32-12(8)16(28)30-4)24-17(31)23-6-5-7-26-9(2)11(19)13(25-26)18(20,21)22/h5-7H2,1-4H3,(H2,23,24,31)