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

Systemtic Name: 2-[(4-chloranyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(4-chloro-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[(4-chloro-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methylsulfinyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(4-chloro-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(4-chloro-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1Cl)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1Cl)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]

InChI

InChI=1S/C16H16ClN3O3S/c1-9-7-20(21)14(10(2)15(9)17)8-24(22)16-18-12-5-4-11(23-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,18,19)