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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-1-oxidanidyl-pyridin-1-ium-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(3,5-dimethyl-4-nitro-1-oxido-pyridin-1-ium-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[(3,5-dimethyl-4-nitro-1-oxido-2-pyridin-1-iumyl)methylthio]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3,5-dimethyl-4-nitro-1-oxido-pyridin-1-ium-2-yl)methylthio]-6-methoxy-1H-benzimidazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1[N+](=O)[O-])C)CSC2=NC3=C(N2)C=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1[N+](=O)[O-])C)CSC2=NC3=C(N2)C=C(C=C3)OC)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-9-7-19(21)14(10(2)15(9)20(22)23)8-25-16-17-12-5-4-11(24-3)6-13(12)18-16/h4-7H,8H2,1-3H3,(H,17,18)