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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyano-5-methylsulfanyl-3-thiophen-2-yl-pyrazol-1-yl)methyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-cyano-5-methylsulfanyl-3-(2-thienyl)pyrazol-1-yl]methyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-cyano-5-(methylthio)-3-thiophen-2-yl-1-pyrazolyl]methyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyano-5-methylsulfanyl-3-thiophen-2-ylpyrazol-1-yl)methyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-cyano-5-(methylthio)-3-(2-thienyl)pyrazol-1-yl]methyl]urea Formula: C19H13F6N5OS2 MolecularWeight: 505.459839

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CS3)C#N

Isomeric SMILES

CSC1=C(C(=NN1CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CS3)C#N

InChI

InChI=1S/C19H13F6N5OS2/c1-32-16-13(8-26)15(14-3-2-4-33-14)29-30(16)9-27-17(31)28-12-6-10(18(20,21)22)5-11(7-12)19(23,24)25/h2-7H,9H2,1H3,(H2,27,28,31)