3-chloranyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-4-fluoranyl-benzamide

Systemtic Name: 3-chloranyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-4-fluoranyl-benzamide Openeye Name: 3-chloro-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-4-fluoro-benzamide CAS Name: 3-chloro-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-4-fluorobenzamide IUPAC Name: 3-chloro-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-4-fluorobenzamide Traditional Name: 3-chloro-N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]-4-fluoro-benzamide Formula: C22H19ClFN5OS MolecularWeight: 455.935563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C22H19ClFN5OS/c1-12-8-13(2)26-22(25-12)31-11-20-28-18-10-15(5-7-19(18)29(20)3)27-21(30)14-4-6-17(24)16(23)9-14/h4-10H,11H2,1-3H3,(H,27,30)