2-[(5-bromanyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(5-bromanyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[[5-bromo-4-(1-piperidyl)-2-pyridyl]methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[5-bromo-4-(1-piperidinyl)-2-pyridinyl]methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(5-bromo-4-piperidin-1-ylpyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(5-bromo-4-piperidino-2-pyridyl)methylthio]-6-methoxy-1H-benzimidazole Formula: C19H21BrN4OS MolecularWeight: 433.36524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3)N4CCCCC4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3)N4CCCCC4)Br

InChI

InChI=1S/C19H21BrN4OS/c1-25-14-5-6-16-17(10-14)23-19(22-16)26-12-13-9-18(15(20)11-21-13)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,23)