6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitro-pyridin-2-olate

Systemtic Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitro-pyridin-2-olate Openeye Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitro-pyridin-2-olate CAS Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitro-2-pyridinolate IUPAC Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitropyridin-2-olate Traditional Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-nitro-pyridin-2-olate Formula: C16H15N4O5S- MolecularWeight: 375.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-8-13(17-15(21)9(2)14(8)20(22)23)7-26(24)16-18-11-5-4-10(25-3)6-12(11)19-16/h4-6H,7H2,1-3H3,(H,17,21)(H,18,19)/p-1