(E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile

Systemtic Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile Openeye Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile CAS Name: (E)-3-(ethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile Traditional Name: (E)-3-(ethylthio)-2-pyridin-1-ium-1-yl-acrylonitrile Formula: C10H11N2S+ MolecularWeight: 191.27274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS/C=C(\C#N)/[N+]1=CC=CC=C1

InChI

InChI=1S/C10H11N2S/c1-2-13-9-10(8-11)12-6-4-3-5-7-12/h3-7,9H,2H2,1H3/q+1/b10-9+