N-(4-chloranyl-3-nitro-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C17H15Cl2F3N5O2S+ MolecularWeight: 481.29951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14Cl2F3N5O2S/c18-12-2-1-11(8-14(12)27(28)29)24-16(30)26-5-3-25(4-6-26)15-13(19)7-10(9-23-15)17(20,21)22/h1-2,7-9H,3-6H2,(H,24,30)/p+1