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

Systemtic Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-(ethylthio)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-(ethylthio)-3-mercapto-2-pyridin-1-ium-1-yl-acrylonitrile Formula: C10H11N2S2+ MolecularWeight: 223.33774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2S2/c1-2-14-10(13)9(8-11)12-6-4-3-5-7-12/h3-7H,2H2,1H3/p+1/b10-9+