6-azanyl-N-(5-fluoranyl-2-methyl-phenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide

Systemtic Name: 6-azanyl-N-(5-fluoranyl-2-methyl-phenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Openeye Name: 6-amino-N-(5-fluoro-2-methyl-phenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide CAS Name: 6-amino-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-3-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 6-amino-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Traditional Name: 6-amino-N-(5-fluoro-2-methyl-phenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Formula: C21H16F2N3OS+ MolecularWeight: 396.433046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15F2N3OS/c1-11-2-5-14(23)10-16(11)25-20(27)18-15-8-9-17(24)26-21(15)28-19(18)12-3-6-13(22)7-4-12/h2-10H,1H3,(H2,24,26)(H,25,27)/p+1