2-[[(1,3-diphenylpyrazol-4-yl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(1,3-diphenylpyrazole-4-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H25N6OS+ MolecularWeight: 409.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N6OS/c1-26(2)14-13-22-21(29)24-23-20(28)18-15-27(17-11-7-4-8-12-17)25-19(18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,23,28)(H2,22,24,29)/p+1