3-azanyl-N-(4-bromophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(4-bromophenyl)-6-(p-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(4-bromophenyl)-6-(4-methylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(4-bromophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(4-bromophenyl)-6-(p-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C21H17BrN3OS+ MolecularWeight: 439.34818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]C3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C21H16BrN3OS/c1-12-2-4-13(5-3-12)17-11-10-16-18(23)19(27-21(16)25-17)20(26)24-15-8-6-14(22)7-9-15/h2-11H,23H2,1H3,(H,24,26)/p+1