2-azanyl-5-cyano-N-(3-fluorophenyl)-6-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-N-(3-fluorophenyl)-6-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-allylsulfanyl-2-amino-5-cyano-N-(3-fluorophenyl)pyridin-1-ium-3-carboxamide CAS Name: 2-amino-5-cyano-N-(3-fluorophenyl)-6-(prop-2-enylthio)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-5-cyano-N-(3-fluorophenyl)-6-prop-2-enylsulfanylpyridin-1-ium-3-carboxamide Traditional Name: 6-(allylthio)-2-amino-5-cyano-N-(3-fluorophenyl)pyridin-1-ium-3-carboxamide Formula: C16H14FN4OS+ MolecularWeight: 329.371963

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=[NH+]C(=C(C=C1C#N)C(=O)NC2=CC(=CC=C2)F)N

Isomeric SMILES

C=CCSC1=[NH+]C(=C(C=C1C#N)C(=O)NC2=CC(=CC=C2)F)N

InChI

InChI=1S/C16H13FN4OS/c1-2-6-23-16-10(9-18)7-13(14(19)21-16)15(22)20-12-5-3-4-11(17)8-12/h2-5,7-8H,1,6H2,(H2,19,21)(H,20,22)/p+1