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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(m-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(3-methylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(m-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H14N5OS+ MolecularWeight: 324.38026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

InChI

InChI=1S/C16H13N5OS/c1-8-3-2-4-10(5-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)/p+1