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

Systemtic Name: 2-[[3-methyl-4-[3-(2-methylimidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(2-methylimidazol-1-yl)propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-(2-methyl-1-imidazolyl)propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(2-methylimidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-(2-methylimidazol-1-yl)propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H23N5S2 MolecularWeight: 409.57082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C=CN=C4C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C=CN=C4C

InChI

InChI=1S/C21H23N5S2/c1-15-19(14-28-21-24-17-6-3-4-7-18(17)25-21)23-9-8-20(15)27-13-5-11-26-12-10-22-16(26)2/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,24,25)