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

Systemtic Name: 2-[[3-methyl-4-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-[(1-methyl-2-imidazolyl)thio]propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-[(1-methylimidazol-2-yl)thio]propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H23N5S3 MolecularWeight: 441.63582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CN4C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CN4C

InChI

InChI=1S/C21H23N5S3/c1-15-18(14-29-20-24-16-6-3-4-7-17(16)25-20)22-9-8-19(15)27-12-5-13-28-21-23-10-11-26(21)2/h3-4,6-11H,5,12-14H2,1-2H3,(H,24,25)