2-(4-azanyl-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidin-1-iumyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-1-ium-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C14H11F3N5OS+ MolecularWeight: 354.33025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=[NH+]C=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=[NH+]C=C(C(=N2)N)C#N

InChI

InChI=1S/C14H10F3N5OS/c15-14(16,17)9-3-1-2-4-10(9)21-11(23)7-24-13-20-6-8(5-18)12(19)22-13/h1-4,6H,7H2,(H,21,23)(H2,19,20,22)/p+1