3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-(4-bromophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C15H11BrN5OS+ MolecularWeight: 389.24974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)Br

InChI

InChI=1S/C15H10BrN5OS/c16-8-1-3-9(4-2-8)20-14(22)12-11(18)10-5-7(6-17)13(19)21-15(10)23-12/h1-5H,18H2,(H2,19,21)(H,20,22)/p+1