1-methyl-4-[1-[[4-[[(2Z)-2-[4-[[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium

Systemtic Name: 1-methyl-4-[1-[[4-[[(2Z)-2-[4-[[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium Openeye Name: 1-methyl-4-[1-[[4-[[(2Z)-2-[4-[[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium CAS Name: 1-methyl-4-[1-[[4-[[[(2Z)-2-[4-[[4-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methylthio]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]phenyl]methyl]-4-pyridin-1-iumyl]pyridin-1-ium IUPAC Name: 1-methyl-4-[1-[[4-[[(2Z)-2-[4-[[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium Traditional Name: 1-methyl-4-[1-[4-[[[(2Z)-2-[4-[[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzyl]thio]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]benzyl]pyridin-1-ium-4-yl]pyridin-1-ium Formula: C43H37N4S6+3 MolecularWeight: 802.17068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC=C(C=C3)CSC4=CSC(=C5SC=C(S5)SCC6=CC=C(C=C6)C[N+]7=CC=C(C=C7)C8=CC=NC=C8)S4

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC=C(C=C3)CSC4=CS/C(=C/5\SC=C(S5)SCC6=CC=C(C=C6)C[N+]7=CC=C(C=C7)C8=CC=NC=C8)/S4

InChI

InChI=1S/C43H37N4S6/c1-45-20-12-37(13-21-45)39-16-24-47(25-17-39)27-33-4-8-35(9-5-33)29-49-41-31-51-43(53-41)42-50-30-40(52-42)48-28-34-6-2-32(3-7-34)26-46-22-14-38(15-23-46)36-10-18-44-19-11-36/h2-25,30-31H,26-29H2,1H3/q+3/b43-42-