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

Systemtic Name: methyl 2-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H18ClF3N4O2S2 MolecularWeight: 454.91793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Cl)C)C(=O)OC

InChI

InChI=1S/C16H18ClF3N4O2S2/c1-8-7-10(14(25)26-3)13(28-8)22-15(27)21-5-4-6-24-9(2)11(17)12(23-24)16(18,19)20/h7H,4-6H2,1-3H3,(H2,21,22,27)