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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(4-methoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H14N5O2S+ MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

InChI

InChI=1S/C16H13N5O2S/c1-23-10-4-2-9(3-5-10)20-15(22)13-12(18)11-6-8(7-17)14(19)21-16(11)24-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)/p+1