N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3OS/c1-13-19(14(2)26(25-13)16-8-4-3-5-9-16)24-18(27)12-28-17-10-6-7-15(11-17)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)