4-[[5-[[3,4-bis(sulfanyl)phenyl]methylsulfanyl]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]sulfanylmethyl]benzene-1,2-dithiol

Systemtic Name: 4-[[5-[[3,4-bis(sulfanyl)phenyl]methylsulfanyl]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]sulfanylmethyl]benzene-1,2-dithiol Openeye Name: 4-[[5-[[3,4-bis(sulfanyl)phenyl]methylsulfanyl]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]sulfanylmethyl]benzene-1,2-dithiol CAS Name: 4-[[[5-[(3,4-dimercaptophenyl)methylthio]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]thio]methyl]benzene-1,2-dithiol IUPAC Name: 4-[[5-[[3,4-bis(sulfanyl)phenyl]methylsulfanyl]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]sulfanylmethyl]benzene-1,2-dithiol Traditional Name: 4-[[[5-[(3,4-dimercaptobenzyl)thio]-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]thio]methyl]benzene-1,2-dithiol Formula: C17H17N2S7+ MolecularWeight: 473.78528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)SCC2=CC(=C(C=C2)S)S)SCC3=CC(=C(C=C3)S)S

Isomeric SMILES

C[N+]1=C(SC(=N1)SCC2=CC(=C(C=C2)S)S)SCC3=CC(=C(C=C3)S)S

InChI

InChI=1S/C17H16N2S7/c1-19-17(25-9-11-3-5-13(21)15(23)7-11)26-16(18-19)24-8-10-2-4-12(20)14(22)6-10/h2-7H,8-9H2,1H3,(H3-,20,21,22,23)/p+1