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

Systemtic Name: 2-[(5-bromanyl-4-pyrrolidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(5-bromo-4-pyrrolidin-1-yl-2-pyridyl)methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[5-bromo-4-(1-pyrrolidinyl)-2-pyridinyl]methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(5-bromo-4-pyrrolidin-1-ylpyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(5-bromo-4-pyrrolidino-2-pyridyl)methylthio]-6-methoxy-1H-benzimidazole Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3)N4CCCC4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3)N4CCCC4)Br

InChI

InChI=1S/C18H19BrN4OS/c1-24-13-4-5-15-16(9-13)22-18(21-15)25-11-12-8-17(14(19)10-20-12)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,22)