3,6-bis(azanyl)-2-(4-ethoxyphenyl)carbonyl-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(4-ethoxyphenyl)carbonyl-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-ethoxybenzoyl)-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-ethoxyphenyl)-oxomethyl]-4-ethyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-ethoxybenzoyl)-4-ethylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-ethoxybenzoyl)-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)OCC)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)OCC)N)N)C#N

InChI

InChI=1S/C19H18N4O2S/c1-3-12-13(9-20)18(22)23-19-14(12)15(21)17(26-19)16(24)10-5-7-11(8-6-10)25-4-2/h5-8H,3-4,21H2,1-2H3,(H2,22,23)/p+1