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

Systemtic Name: (Z)-3-phenacylsulfanyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide Openeye Name: (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide CAS Name: (Z)-3-(phenacylthio)-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile bromide IUPAC Name: (Z)-3-benzylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile bromide Traditional Name: (Z)-3-(benzylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylonitrile bromide Formula: C23H19BrN2OS2 MolecularWeight: 483.44376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N2OS2.BrH/c24-16-21(25-14-8-3-9-15-25)23(27-17-19-10-4-1-5-11-19)28-18-22(26)20-12-6-2-7-13-20;/h1-15H,17-18H2;1H/q+1;/p-1/b23-21-;