N-[4-cyano-2-methyl-5-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-2-ium-3-yl]propanamide

Systemtic Name: N-[4-cyano-2-methyl-5-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-2-ium-3-yl]propanamide Openeye Name: N-[4-cyano-2-methyl-5-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-2-ium-3-yl]propanamide CAS Name: N-[4-cyano-2-methyl-5-(methylthio)-2-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrazol-2-iumyl]propanamide IUPAC Name: N-[4-cyano-2-methyl-5-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-2-ium-3-yl]propanamide Traditional Name: N-[4-cyano-2-methyl-5-(methylthio)-2-[3-(trifluoromethyl)benzyl]pyrazol-2-ium-3-yl]propionamide Formula: C17H18F3N4OS+ MolecularWeight: 383.41123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=N[N+]1(C)CC2=CC(=CC=C2)C(F)(F)F)SC)C#N

Isomeric SMILES

CCC(=O)NC1=C(C(=N[N+]1(C)CC2=CC(=CC=C2)C(F)(F)F)SC)C#N

InChI

InChI=1S/C17H17F3N4OS/c1-4-14(25)22-15-13(9-21)16(26-3)23-24(15,2)10-11-6-5-7-12(8-11)17(18,19)20/h5-8H,4,10H2,1-3H3/p+1