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

Systemtic Name: (Z)-3-phenacylsulfanyl-1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one bromide Openeye Name: (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one bromide CAS Name: (Z)-3-(phenacylthio)-1-phenyl-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one bromide IUPAC Name: (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-1-phenyl-2-pyridin-1-ium-1-ylprop-2-en-1-one bromide Traditional Name: (Z)-3-(benzylthio)-3-(phenacylthio)-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one bromide Formula: C29H24BrNO2S2 MolecularWeight: 562.54036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3)SCC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C(\C(=O)C2=CC=CC=C2)/[N+]3=CC=CC=C3)/SCC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H24NO2S2.BrH/c31-26(24-15-7-2-8-16-24)22-34-29(33-21-23-13-5-1-6-14-23)27(30-19-11-4-12-20-30)28(32)25-17-9-3-10-18-25;/h1-20H,21-22H2;1H/q+1;/p-1/b29-27-;