1-(2,5-dimethylphenyl)-N-(3-fluoranyl-4-methyl-phenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)-N-(3-fluoranyl-4-methyl-phenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: 1-(2,5-dimethylphenyl)-N-(3-fluoro-4-methyl-phenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 1-(2,5-dimethylphenyl)-N-(3-fluoro-4-methylphenyl)-2-mercapto-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: 1-(2,5-dimethylphenyl)-N-(3-fluoro-4-methylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)-N-(3-fluoro-4-methyl-phenyl)-2-mercapto-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C23H21FN3OS+ MolecularWeight: 406.495743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C23H20FN3OS/c1-14-7-8-16(3)19(12-14)27-20-6-4-5-11-26(20)21(23(27)29)22(28)25-17-10-9-15(2)18(24)13-17/h4-13H,1-3H3,(H-,25,28,29)/p+1