ethyl (Z)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide

Systemtic Name: ethyl (Z)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide Openeye Name: ethyl (Z)-3-(1-naphthylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide CAS Name: (Z)-3-(1-naphthalenylmethylthio)-3-(phenacylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enoate bromide Traditional Name: (Z)-3-(1-naphthylmethylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester bromide Formula: C29H26BrNO3S2 MolecularWeight: 580.55564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=CC2=CC=CC=C21)SCC(=O)C3=CC=CC=C3)[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C(\SCC1=CC=CC2=CC=CC=C21)/SCC(=O)C3=CC=CC=C3)/[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H26NO3S2.BrH/c1-2-33-28(32)27(30-18-9-4-10-19-30)29(35-21-26(31)23-13-5-3-6-14-23)34-20-24-16-11-15-22-12-7-8-17-25(22)24;/h3-19H,2,20-21H2,1H3;1H/q+1;/p-1/b29-27-;