N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCN2C=C(C=N2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COCCN2C=C(C=N2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)17-7-4-8-19(11-17)30-15-20(28)26-18-12-25-27(13-18)9-10-29-14-16-5-2-1-3-6-16/h1-8,11-13H,9-10,14-15H2,(H,26,28)