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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-p-phenetyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H16N5O2S+ MolecularWeight: 354.40624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

InChI

InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23)/p+1