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

Systemtic Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenyl-prop-2-en-1-one bromide Openeye Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenyl-prop-2-en-1-one bromide CAS Name: (Z)-3-(ethylthio)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-1-phenyl-2-propen-1-one bromide IUPAC Name: (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-1-phenylprop-2-en-1-one bromide Traditional Name: (Z)-3-(ethylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)-1-phenyl-prop-2-en-1-one bromide Formula: C25H24BrNO2S2 MolecularWeight: 514.49756

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=C(C=C2)C)SCC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCS/C(=C(\C(=O)C1=CC=CC=C1)/[N+]2=CC=C(C=C2)C)/SCC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H24NO2S2.BrH/c1-3-29-25(30-18-22(27)20-10-6-4-7-11-20)23(26-16-14-19(2)15-17-26)24(28)21-12-8-5-9-13-21;/h4-17H,3,18H2,1-2H3;1H/q+1;/p-1/b25-23-;