1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-nitro-benzimidazole

Systemtic Name: 1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-nitro-benzimidazole Openeye Name: 1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-nitro-benzimidazole CAS Name: 1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-nitrobenzimidazole IUPAC Name: 1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-nitrobenzimidazole Traditional Name: 1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]-5-nitro-benzimidazole Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

InChI

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