6-azanyl-5-cyano-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-azanyl-5-cyano-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-amino-2-benzylsulfanyl-5-cyano-pyridin-1-ium-3-carboxamide CAS Name: 6-amino-5-cyano-2-(phenylmethylthio)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-amino-2-benzylsulfanyl-5-cyanopyridin-1-ium-3-carboxamide Traditional Name: 6-amino-2-(benzylthio)-5-cyano-pyridin-1-ium-3-carboxamide Formula: C14H13N4OS+ MolecularWeight: 285.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=[NH+]2)N)C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=[NH+]2)N)C#N)C(=O)N

InChI

InChI=1S/C14H12N4OS/c15-7-10-6-11(13(17)19)14(18-12(10)16)20-8-9-4-2-1-3-5-9/h1-6H,8H2,(H2,16,18)(H2,17,19)/p+1