1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O5S/c1-24-15-6-3-10(7-16(15)25-2)14(21)9-26-17-18-12-5-4-11(20(22)23)8-13(12)19-17/h3-8H,9H2,1-2H3,(H,18,19)