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

Systemtic Name: (Z)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide Openeye Name: (Z)-3-(1-naphthylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile bromide CAS Name: (Z)-3-(1-naphthalenylmethylthio)-3-(phenacylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile bromide IUPAC Name: (Z)-3-(naphthalen-1-ylmethylsulfanyl)-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile bromide Traditional Name: (Z)-3-(1-naphthylmethylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylonitrile bromide Formula: C27H21BrN2OS2 MolecularWeight: 533.50244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)[N+]2=CC=CC=C2)SCC3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CS/C(=C(/C#N)\[N+]2=CC=CC=C2)/SCC3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C27H21N2OS2.BrH/c28-18-25(29-16-7-2-8-17-29)27(32-20-26(30)22-11-3-1-4-12-22)31-19-23-14-9-13-21-10-5-6-15-24(21)23;/h1-17H,19-20H2;1H/q+1;/p-1/b27-25-;