3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enenitrile

Systemtic Name: 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enenitrile CAS Name: 3,3-bis(methylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-ylprop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-pyridin-1-ium-1-yl-acrylonitrile Formula: C10H11N2S2+ MolecularWeight: 223.33774

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)[N+]1=CC=CC=C1)SC

Isomeric SMILES

CSC(=C(C#N)[N+]1=CC=CC=C1)SC

InChI

InChI=1S/C10H11N2S2/c1-13-10(14-2)9(8-11)12-6-4-3-5-7-12/h3-7H,1-2H3/q+1