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

Systemtic Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[1-(3-methoxy-3-methylbutyl)-4-pyrazolyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H22F3N3O2S MolecularWeight: 401.44639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=C(C=N1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F)OC

Isomeric SMILES

CC(C)(CCN1C=C(C=N1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H22F3N3O2S/c1-17(2,26-3)7-8-24-11-14(10-22-24)23-16(25)12-27-15-6-4-5-13(9-15)18(19,20)21/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,25)