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

Systemtic Name: 2-[(3-chloranyl-4-pyrrolidin-1-yl-pyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(3-chloro-4-pyrrolidin-1-yl-2-pyridyl)methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[3-chloro-4-(1-pyrrolidinyl)-2-pyridinyl]methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3-chloro-4-pyrrolidin-1-ylpyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3-chloro-4-pyrrolidino-2-pyridyl)methylthio]-6-methoxy-1H-benzimidazole Formula: C18H19ClN4OS MolecularWeight: 374.88766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3Cl)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3Cl)N4CCCC4

InChI

InChI=1S/C18H19ClN4OS/c1-24-12-4-5-13-14(10-12)22-18(21-13)25-11-15-17(19)16(6-7-20-15)23-8-2-3-9-23/h4-7,10H,2-3,8-9,11H2,1H3,(H,21,22)