2-[[4-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[4-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[4-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[4-[3-(1H-imidazol-2-ylthio)propylthio]-3-methyl-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[4-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[4-[3-(1H-imidazol-2-ylthio)propylthio]-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole Formula: C20H21N5S3 MolecularWeight: 427.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CN4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CN4

InChI

InChI=1S/C20H21N5S3/c1-14-17(13-28-20-24-15-5-2-3-6-16(15)25-20)21-8-7-18(14)26-11-4-12-27-19-22-9-10-23-19/h2-3,5-10H,4,11-13H2,1H3,(H,22,23)(H,24,25)