2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-5-nitro-benzimidazole

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-5-nitro-benzimidazole Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-5-nitro-benzimidazole CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-nitrobenzimidazole IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-5-nitrobenzimidazole Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-5-nitro-benzimidazole Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C16H17N5O2S/c1-4-20-14-6-5-12(21(22)23)8-13(14)19-15(20)9-24-16-17-10(2)7-11(3)18-16/h5-8H,4,9H2,1-3H3