6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methylthio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methylthio]-1H-benzimidazole Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-10-8-20(21)15(11(2)16(10)23-4)9-24-17-18-13-6-5-12(22-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)