2-[1-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[1-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]-1H-benzimidazole Openeye Name: 2-[1-[[3-methyl-2-(4-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propylsulfanyl]-1H-benzimidazole CAS Name: 2-[1-[[3-methyl-2-[(pyridin-4-ylthio)methyl]-4-pyridinyl]thio]propylthio]-1H-benzimidazole IUPAC Name: 2-[1-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]-1H-benzimidazole Traditional Name: 2-[1-[[3-methyl-2-[(4-pyridylthio)methyl]-4-pyridyl]thio]propylthio]-1H-benzimidazole Formula: C22H22N4S3 MolecularWeight: 438.63188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(SC1=C(C(=NC=C1)CSC2=CC=NC=C2)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(SC1=C(C(=NC=C1)CSC2=CC=NC=C2)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4S3/c1-3-21(29-22-25-17-6-4-5-7-18(17)26-22)28-20-10-13-24-19(15(20)2)14-27-16-8-11-23-12-9-16/h4-13,21H,3,14H2,1-2H3,(H,25,26)