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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-(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)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

InChI

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