5-azanyl-6-cyano-N-phenethyl-7-phenyl-2-phenylazanyl-thieno[3,2-b]pyridin-4-ium-3-carboxamide

Systemtic Name: 5-azanyl-6-cyano-N-phenethyl-7-phenyl-2-phenylazanyl-thieno[3,2-b]pyridin-4-ium-3-carboxamide Openeye Name: 5-amino-2-anilino-6-cyano-N-phenethyl-7-phenyl-thieno[3,2-b]pyridin-4-ium-3-carboxamide CAS Name: 5-amino-2-anilino-6-cyano-N-phenethyl-7-phenyl-3-thieno[3,2-b]pyridin-4-iumcarboxamide IUPAC Name: 5-amino-2-anilino-6-cyano-N-phenethyl-7-phenylthieno[3,2-b]pyridin-4-ium-3-carboxamide Traditional Name: 5-amino-2-anilino-6-cyano-N-phenethyl-7-phenyl-thieno[3,2-b]pyridin-4-ium-3-carboxamide Formula: C29H24N5OS+ MolecularWeight: 490.59876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(SC3=C2[NH+]=C(C(=C3C4=CC=CC=C4)C#N)N)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(SC3=C2[NH+]=C(C(=C3C4=CC=CC=C4)C#N)N)NC5=CC=CC=C5

InChI

InChI=1S/C29H23N5OS/c30-18-22-23(20-12-6-2-7-13-20)26-25(34-27(22)31)24(29(36-26)33-21-14-8-3-9-15-21)28(35)32-17-16-19-10-4-1-5-11-19/h1-15,33H,16-17H2,(H2,31,34)(H,32,35)/p+1