1-[(4-cyano-5-methylsulfanyl-3-thiophen-2-yl-pyrazol-1-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea

Systemtic Name: 1-[(4-cyano-5-methylsulfanyl-3-thiophen-2-yl-pyrazol-1-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea Openeye Name: 1-[[4-cyano-5-methylsulfanyl-3-(2-thienyl)pyrazol-1-yl]methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea CAS Name: 1-[[4-cyano-5-(methylthio)-3-thiophen-2-yl-1-pyrazolyl]methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea IUPAC Name: 1-[(4-cyano-5-methylsulfanyl-3-thiophen-2-ylpyrazol-1-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea Traditional Name: 1-[[4-cyano-5-(methylthio)-3-(2-thienyl)pyrazol-1-yl]methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea Formula: C18H20F3N5OS2 MolecularWeight: 443.50951

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1CNC(=O)NC2CCCCC2C(F)(F)F)C3=CC=CS3)C#N

Isomeric SMILES

CSC1=C(C(=NN1CNC(=O)NC2CCCCC2C(F)(F)F)C3=CC=CS3)C#N

InChI

InChI=1S/C18H20F3N5OS2/c1-28-16-11(9-22)15(14-7-4-8-29-14)25-26(16)10-23-17(27)24-13-6-3-2-5-12(13)18(19,20)21/h4,7-8,12-13H,2-3,5-6,10H2,1H3,(H2,23,24,27)