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

Systemtic Name: 3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-4-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-thiophen-2-yl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C19H13BrN5OS2+ MolecularWeight: 471.37342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

InChI

InChI=1S/C19H12BrN5OS2/c20-9-3-5-10(6-4-9)24-18(26)16-15(22)14-13(12-2-1-7-27-12)11(8-21)17(23)25-19(14)28-16/h1-7H,22H2,(H2,23,25)(H,24,26)/p+1