5-(2,5-dimethylpyrrol-1-yl)-6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)-6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-6-fluoro-2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C3C(=C2)N=C(N3)S(=O)CC4=NC=CC(=C4C)OC)F)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C3C(=C2)N=C(N3)S(=O)CC4=NC=CC(=C4C)OC)F)C

InChI

InChI=1S/C21H21FN4O2S/c1-12-5-6-13(2)26(12)19-10-17-16(9-15(19)22)24-21(25-17)29(27)11-18-14(3)20(28-4)7-8-23-18/h5-10H,11H2,1-4H3,(H,24,25)