2-[(3-bromanyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(3-bromanyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[[3-bromo-4-(1-piperidyl)-2-pyridyl]methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[3-bromo-4-(1-piperidinyl)-2-pyridinyl]methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3-bromo-4-piperidin-1-ylpyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3-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=CC(=C3Br)N4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3Br)N4CCCCC4

InChI

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