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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=CC=NC=C4

InChI

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