N-[6-azanyl-2,5-dicyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-3-yl]ethanamide

Systemtic Name: N-[6-azanyl-2,5-dicyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-3-yl]ethanamide Openeye Name: N-[6-amino-2,5-dicyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-3-yl]acetamide CAS Name: N-[6-amino-2,5-dicyano-4-(4-ethoxyphenyl)-3-thieno[2,3-b]pyridin-7-iumyl]acetamide IUPAC Name: N-[6-amino-2,5-dicyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-3-yl]acetamide Traditional Name: N-(6-amino-2,5-dicyano-4-p-phenetyl-thieno[2,3-b]pyridin-7-ium-3-yl)acetamide Formula: C19H16N5O2S+ MolecularWeight: 378.42764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O2S/c1-3-26-12-6-4-11(5-7-12)15-13(8-20)18(22)24-19-16(15)17(23-10(2)25)14(9-21)27-19/h4-7H,3H2,1-2H3,(H2,22,24)(H,23,25)/p+1