2-azanyl-6-phenethylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-phenethylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-phenethylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenethylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenethylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H13N4S+ MolecularWeight: 281.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C15H12N4S/c16-9-12-8-13(10-17)15(19-14(12)18)20-7-6-11-4-2-1-3-5-11/h1-5,8H,6-7H2,(H2,18,19)/p+1