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

Systemtic Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-prop-2-enenitrile bromide Openeye Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylsulfanyl)-3-phenacylsulfanyl-prop-2-enenitrile bromide CAS Name: (Z)-2-(4-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylmethylthio)-3-(phenacylthio)-2-propenenitrile bromide IUPAC Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanylprop-2-enenitrile bromide Traditional Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-(1-naphthylmethylthio)-3-(phenacylthio)acrylonitrile bromide Formula: C28H23BrN2OS2 MolecularWeight: 547.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C(SCC2=CC=CC3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)C#N.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)/C(=C(/SCC2=CC=CC3=CC=CC=C32)\SCC(=O)C4=CC=CC=C4)/C#N.[Br-]

InChI

InChI=1S/C28H23N2OS2.BrH/c1-21-14-16-30(17-15-21)26(18-29)28(33-20-27(31)23-9-3-2-4-10-23)32-19-24-12-7-11-22-8-5-6-13-25(22)24;/h2-17H,19-20H2,1H3;1H/q+1;/p-1/b28-26-;