4-[[2-(1,3-benzodithiol-2-ylidene)-5-(pyridin-4-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine

Systemtic Name: 4-[[2-(1,3-benzodithiol-2-ylidene)-5-(pyridin-4-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine Openeye Name: 4-[[2-(1,3-benzodithiol-2-ylidene)-5-(4-pyridylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine CAS Name: 4-[[[2-(1,3-benzodithiol-2-ylidene)-5-(pyridin-4-ylmethylthio)-1,3-dithiol-4-yl]thio]methyl]pyridine IUPAC Name: 4-[[2-(1,3-benzodithiol-2-ylidene)-5-(pyridin-4-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine Traditional Name: 4-[[[2-(1,3-benzodithiol-2-ylidene)-5-(4-pyridylmethylthio)-1,3-dithiol-4-yl]thio]methyl]pyridine Formula: C22H16N2S6 MolecularWeight: 500.76584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=C3SC(=C(S3)SCC4=CC=NC=C4)SCC5=CC=NC=C5)S2

Isomeric SMILES

C1=CC=C2C(=C1)SC(=C3SC(=C(S3)SCC4=CC=NC=C4)SCC5=CC=NC=C5)S2

InChI

InChI=1S/C22H16N2S6/c1-2-4-18-17(3-1)27-21(28-18)22-29-19(25-13-15-5-9-23-10-6-15)20(30-22)26-14-16-7-11-24-12-8-16/h1-12H,13-14H2