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

Systemtic Name: 2-[[3-methyl-4-(3-pyridin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(2-pyridylsulfanyl)propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-(2-pyridinylthio)propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(3-pyridin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-(2-pyridylthio)propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C22H22N4S3 MolecularWeight: 438.63188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=CC=CC=N4

InChI

InChI=1S/C22H22N4S3/c1-16-19(15-29-22-25-17-7-2-3-8-18(17)26-22)23-12-10-20(16)27-13-6-14-28-21-9-4-5-11-24-21/h2-5,7-12H,6,13-15H2,1H3,(H,25,26)