[1-azanyl-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethylidene]-(2-cyanoethanoylamino)azanium

Systemtic Name: [1-azanyl-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethylidene]-(2-cyanoethanoylamino)azanium Openeye Name: [1-amino-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylidene]-[(2-cyanoacetyl)amino]ammonium CAS Name: [1-amino-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethylidene]-[(2-cyano-1-oxoethyl)amino]ammonium IUPAC Name: [1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]-[(2-cyanoacetyl)amino]azanium Traditional Name: [1-amino-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethylidene]-[(2-cyanoacetyl)amino]ammonium Formula: C11H10ClF3N5OS+ MolecularWeight: 352.74321

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCC(=[NH+]NC(=O)CC#N)N)C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCC(=[NH+]NC(=O)CC#N)N)C(F)(F)F

InChI

InChI=1S/C11H9ClF3N5OS/c12-7-3-6(11(13,14)15)4-18-10(7)22-5-8(17)19-20-9(21)1-2-16/h3-4H,1,5H2,(H2,17,19)(H,20,21)/p+1