2-[(4-butylsulfanyl-3-ethyl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(4-butylsulfanyl-3-ethyl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(4-butylsulfanyl-3-ethyl-2-pyridyl)methylsulfinyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[4-(butylthio)-3-ethyl-2-pyridinyl]methylsulfinyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(4-butylsulfanyl-3-ethylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[[4-(butylthio)-3-ethyl-2-pyridyl]methylsulfinyl]-6-methoxy-1H-benzimidazole Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CC

Isomeric SMILES

CCCCSC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CC

InChI

InChI=1S/C20H25N3O2S2/c1-4-6-11-26-19-9-10-21-18(15(19)5-2)13-27(24)20-22-16-8-7-14(25-3)12-17(16)23-20/h7-10,12H,4-6,11,13H2,1-3H3,(H,22,23)