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

Systemtic Name: 2-[[3-methyl-4-(2-piperazin-1-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-(2-piperazin-1-ylethylsulfanyl)-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[2-(1-piperazinyl)ethylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(2-piperazin-1-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-(2-piperazinoethylthio)-2-pyridyl]methylthio]-1H-benzimidazole Formula: C20H25N5S2 MolecularWeight: 399.576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCNCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCNCC4

InChI

InChI=1S/C20H25N5S2/c1-15-18(14-27-20-23-16-4-2-3-5-17(16)24-20)22-7-6-19(15)26-13-12-25-10-8-21-9-11-25/h2-7,21H,8-14H2,1H3,(H,23,24)