2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinyl-methyl]-N,N-dimethyl-5-nitro-aniline

Systemtic Name: 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinyl-methyl]-N,N-dimethyl-5-nitro-aniline Openeye Name: 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinyl-methyl]-N,N-dimethyl-5-nitro-aniline CAS Name: 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinylmethyl]-N,N-dimethyl-5-nitroaniline IUPAC Name: 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinylmethyl]-N,N-dimethyl-5-nitroaniline Traditional Name: [2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-sulfinyl-methyl]-5-nitro-phenyl]-dimethyl-amine Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])C(=S=O)C2=NC3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])C(=S=O)C2=NC3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C18H18N4O5S/c1-21(2)14-7-10(22(23)24)5-6-11(14)17(28-25)18-19-12-8-15(26-3)16(27-4)9-13(12)20-18/h5-9H,1-4H3,(H,19,20)