6-(furan-2-yl)-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(furan-2-yl)-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(2-furyl)pyridin-1-ium-3-carbonitrile CAS Name: 6-(2-furanyl)-2-(phenylmethylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(furan-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(2-furyl)pyridin-1-ium-3-carbonitrile Formula: C17H13N2OS+ MolecularWeight: 293.36292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC(=[NH+]2)C3=CC=CO3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC(=[NH+]2)C3=CC=CO3)C#N

InChI

InChI=1S/C17H12N2OS/c18-11-14-8-9-15(16-7-4-10-20-16)19-17(14)21-12-13-5-2-1-3-6-13/h1-10H,12H2/p+1