(Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide

Systemtic Name: (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide Openeye Name: (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide CAS Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile bromide IUPAC Name: (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile bromide Traditional Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylonitrile bromide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C#N)[N+]1=CC=CC=C1)SCC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCS/C(=C(\C#N)/[N+]1=CC=CC=C1)/SCC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H17N2OS2.BrH/c1-2-22-18(16(13-19)20-11-7-4-8-12-20)23-14-17(21)15-9-5-3-6-10-15;/h3-12H,2,14H2,1H3;1H/q+1;/p-1/b18-16-;