(E)-2-cyano-1-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-ethenethiolate

Systemtic Name: (E)-2-cyano-1-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-ethenethiolate Openeye Name: (E)-1-benzylsulfanyl-2-cyano-2-pyridin-1-ium-1-yl-ethenethiolate CAS Name: (E)-2-cyano-1-(phenylmethylthio)-2-(1-pyridin-1-iumyl)ethenethiolate IUPAC Name: (E)-1-benzylsulfanyl-2-cyano-2-pyridin-1-ium-1-ylethenethiolate Traditional Name: (E)-1-(benzylthio)-2-cyano-2-pyridin-1-ium-1-yl-ethenethiolate Formula: C15H12N2S2 MolecularWeight: 284.39918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C#N)[N+]2=CC=CC=C2)[S-]

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C(\C#N)/[N+]2=CC=CC=C2)/[S-]

InChI

InChI=1S/C15H12N2S2/c16-11-14(17-9-5-2-6-10-17)15(18)19-12-13-7-3-1-4-8-13/h1-10H,12H2/b15-14+