(Z)-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenyl-3-(phenylmethylsulfanyl)prop-2-en-1-one bromide

Systemtic Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenyl-3-(phenylmethylsulfanyl)prop-2-en-1-one bromide Openeye Name: (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenyl-prop-2-en-1-one bromide CAS Name: (Z)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-1-phenyl-3-(phenylmethylthio)-2-propen-1-one bromide IUPAC Name: (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenylprop-2-en-1-one bromide Traditional Name: (Z)-3-(benzylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)-1-phenyl-prop-2-en-1-one bromide Formula: C30H26BrNO2S2 MolecularWeight: 576.56694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C(SCC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)/C(=C(/SCC2=CC=CC=C2)\SCC(=O)C3=CC=CC=C3)/C(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H26NO2S2.BrH/c1-23-17-19-31(20-18-23)28(29(33)26-15-9-4-10-16-26)30(34-21-24-11-5-2-6-12-24)35-22-27(32)25-13-7-3-8-14-25;/h2-20H,21-22H2,1H3;1H/q+1;/p-1/b30-28-;