2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-cyclopropyl-N-(2-fluorobenzyl)acetamide Formula: C19H17FN5OS+ MolecularWeight: 382.434583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H16FN5OS/c20-16-4-2-1-3-12(16)10-25(15-5-6-15)17(26)11-27-19-14(9-22)7-13(8-21)18(23)24-19/h1-4,7,15H,5-6,10-11H2,(H2,23,24)/p+1