4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C19H25F3N5S+ MolecularWeight: 412.49551

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C19H24F3N5S/c1-3-27-14(2)15(12-23-27)13-25-8-10-26(11-9-25)18(28)24-17-7-5-4-6-16(17)19(20,21)22/h4-7,12H,3,8-11,13H2,1-2H3,(H,24,28)/p+1