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

Systemtic Name: 3,6-bis(azanyl)-4-phenyl-2-(phenylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-benzoyl-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-benzoyl-4-phenyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-benzoyl-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C21H15N4OS+ MolecularWeight: 371.435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)C4=CC=CC=C4)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)C4=CC=CC=C4)N)N)C#N

InChI

InChI=1S/C21H14N4OS/c22-11-14-15(12-7-3-1-4-8-12)16-17(23)19(27-21(16)25-20(14)24)18(26)13-9-5-2-6-10-13/h1-10H,23H2,(H2,24,25)/p+1