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

Systemtic Name: 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole CAS Name: 2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[[(4-methylpyrimidin-2-yl)thio]methyl]-6-nitro-1H-benzimidazole Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2S/c1-8-4-5-14-13(15-8)21-7-12-16-10-3-2-9(18(19)20)6-11(10)17-12/h2-6H,7H2,1H3,(H,16,17)