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

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-6-nitro-1H-benzimidazole Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N5O2S/c1-8-5-9(2)16-14(15-8)22-7-13-17-11-4-3-10(19(20)21)6-12(11)18-13/h3-6H,7H2,1-2H3,(H,17,18)