(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C17H13F3N5OS+ MolecularWeight: 392.37823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H12F3N5OS/c1-9(27-16-11(8-22)6-10(7-21)14(23)25-16)15(26)24-13-4-2-12(3-5-13)17(18,19)20/h2-6,9H,1H3,(H2,23,25)(H,24,26)/p+1/t9-/m1/s1