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

Systemtic Name: 3,6-bis(azanyl)-4-ethyl-2-(phenylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-benzoyl-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-benzoyl-4-ethyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-benzoyl-4-ethylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-benzoyl-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C17H15N4OS+ MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4OS/c1-2-10-11(8-18)16(20)21-17-12(10)13(19)15(23-17)14(22)9-6-4-3-5-7-9/h3-7H,2,19H2,1H3,(H2,20,21)/p+1