2-azanyl-5-cyano-N-phenyl-6-propylsulfanyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-N-phenyl-6-propylsulfanyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-amino-5-cyano-N-phenyl-6-propylsulfanyl-pyridin-1-ium-3-carboxamide CAS Name: 2-amino-5-cyano-N-phenyl-6-(propylthio)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-5-cyano-N-phenyl-6-propylsulfanylpyridin-1-ium-3-carboxamide Traditional Name: 2-amino-5-cyano-N-phenyl-6-(propylthio)pyridin-1-ium-3-carboxamide Formula: C16H17N4OS+ MolecularWeight: 313.39738

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=[NH+]C(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CCCSC1=[NH+]C(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C16H16N4OS/c1-2-8-22-16-11(10-17)9-13(14(18)20-16)15(21)19-12-6-4-3-5-7-12/h3-7,9H,2,8H2,1H3,(H2,18,20)(H,19,21)/p+1