1-(4-fluorophenyl)-N7-(2-hydroxyethyl)-2-sulfanyl-N3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide

Systemtic Name: 1-(4-fluorophenyl)-N7-(2-hydroxyethyl)-2-sulfanyl-N3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide Openeye Name: 1-(4-fluorophenyl)-N7-(2-hydroxyethyl)-2-sulfanyl-N3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide CAS Name: 1-(4-fluorophenyl)-N7-(2-hydroxyethyl)-2-mercapto-N3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide IUPAC Name: 1-(4-fluorophenyl)-7-N-(2-hydroxyethyl)-2-sulfanyl-3-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide Traditional Name: 1-(4-fluorophenyl)-N'-(2-hydroxyethyl)-2-mercapto-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide Formula: C24H19F4N4O3S+ MolecularWeight: 519.491273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N(C3=[N+]2C=CC(=C3)C(=O)NCCO)C4=CC=C(C=C4)F)S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N(C3=[N+]2C=CC(=C3)C(=O)NCCO)C4=CC=C(C=C4)F)S)C(F)(F)F

InChI

InChI=1S/C24H18F4N4O3S/c25-16-4-6-18(7-5-16)32-19-12-14(21(34)29-9-11-33)8-10-31(19)20(23(32)36)22(35)30-17-3-1-2-15(13-17)24(26,27)28/h1-8,10,12-13,33H,9,11H2,(H2-,29,30,34,35,36)/p+1