(Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enenitrile bromide

Systemtic Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enenitrile bromide Openeye Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enenitrile bromide CAS Name: (Z)-3-(ethylthio)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-2-propenenitrile bromide IUPAC Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanylprop-2-enenitrile bromide Traditional Name: (Z)-3-(ethylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)acrylonitrile bromide Formula: C19H19BrN2OS2 MolecularWeight: 435.40096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2OS2.BrH/c1-3-23-19(17(13-20)21-11-9-15(2)10-12-21)24-14-18(22)16-7-5-4-6-8-16;/h4-12H,3,14H2,1-2H3;1H/q+1;/p-1/b19-17-;