2-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C11H16ClF3N5S+ MolecularWeight: 342.79145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C11H15ClF3N5S/c1-20(2)4-3-16-10(21)19-18-9-8(12)5-7(6-17-9)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,17,18)(H2,16,19,21)/p+1