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

Systemtic Name: ethyl (Z)-3-phenacylsulfanyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enoate bromide Openeye Name: ethyl (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide CAS Name: (Z)-3-(phenacylthio)-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enoate bromide Traditional Name: (Z)-3-(benzylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester bromide Formula: C25H24BrNO3S2 MolecularWeight: 530.49696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=CC=C1)SCC(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C(\SCC1=CC=CC=C1)/SCC(=O)C2=CC=CC=C2)/[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H24NO3S2.BrH/c1-2-29-24(28)23(26-16-10-5-11-17-26)25(30-18-20-12-6-3-7-13-20)31-19-22(27)21-14-8-4-9-15-21;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1/b25-23-;