3-azanyl-N-(2-bromanyl-4-fluoranyl-phenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-bromanyl-4-fluoranyl-phenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(2-bromo-4-fluoro-phenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(2-bromo-4-fluorophenyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(2-bromo-4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(2-bromo-4-fluoro-phenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C18H12BrFN3OS2+ MolecularWeight: 449.339783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=[NH+]C3=C(C=C2)C(=C(S3)C(=O)NC4=C(C=C(C=C4)F)Br)N

Isomeric SMILES

C1=CSC(=C1)C2=[NH+]C3=C(C=C2)C(=C(S3)C(=O)NC4=C(C=C(C=C4)F)Br)N

InChI

InChI=1S/C18H11BrFN3OS2/c19-11-8-9(20)3-5-12(11)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)/p+1