1-(4-chlorophenyl)-N-(2-sulfanylideneimidazolidin-1-yl)carbothioyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-(2-sulfanylideneimidazolidin-1-yl)carbothioyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-(2-thioxoimidazolidine-1-carbothioyl)-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[sulfanylidene-(2-sulfanylidene-1-imidazolidinyl)methyl]-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide IUPAC Name: 1-(4-chlorophenyl)-N-(2-sulfanylideneimidazolidine-1-carbothioyl)-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-(2-thioxoimidazolidine-1-carbothioyl)-5-(trifluoromethyl)-4H-pyrazol-1-ium-4-carboxamide Formula: C15H12ClF3N5OS2+ MolecularWeight: 434.86689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)C(=S)NC(=O)C2C=N[N+](=C2C(F)(F)F)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(=S)N1)C(=S)NC(=O)C2C=N[N+](=C2C(F)(F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H11ClF3N5OS2/c16-8-1-3-9(4-2-8)24-11(15(17,18)19)10(7-21-24)12(25)22-14(27)23-6-5-20-13(23)26/h1-4,7,10H,5-6H2,(H-,20,22,25,26,27)/p+1