N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]piazthiole-4-sulfonamide Formula: C21H19N7O2S3 MolecularWeight: 497.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54)C

InChI

InChI=1S/C21H19N7O2S3/c1-12-9-13(2)23-21(22-12)31-11-19-24-16-10-14(7-8-17(16)28(19)3)27-33(29,30)18-6-4-5-15-20(18)26-32-25-15/h4-10,27H,11H2,1-3H3