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

Systemtic Name: 2-[[3-methyl-4-(2-piperidin-1-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[2-(1-piperidyl)ethylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[2-(1-piperidinyl)ethylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(2-piperidin-1-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-(2-piperidinoethylthio)-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H26N4S2 MolecularWeight: 398.58794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCCCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCCCC4

InChI

InChI=1S/C21H26N4S2/c1-16-19(15-27-21-23-17-7-3-4-8-18(17)24-21)22-10-9-20(16)26-14-13-25-11-5-2-6-12-25/h3-4,7-10H,2,5-6,11-15H2,1H3,(H,23,24)