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

Systemtic Name: 3,6-bis(azanyl)-2-(4-phenylphenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-phenylbenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[oxo-(4-phenylphenyl)methyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-phenylbenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-phenylbenzoyl)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=CC=C(C=C2)C(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

Isomeric SMILES

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

InChI

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