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

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-5-nitro-benzimidazole Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-5-nitro-benzimidazole CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-nitrobenzimidazole IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-5-nitro-benzimidazole Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N5O2S/c1-9-6-10(2)17-15(16-9)23-8-14-18-12-7-11(20(21)22)4-5-13(12)19(14)3/h4-7H,8H2,1-3H3