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

Systemtic Name: 3,6-bis(azanyl)-2-(4-bromophenyl)carbonyl-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-bromobenzoyl)-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-bromophenyl)-oxomethyl]-4-phenyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-bromobenzoyl)-4-phenylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-bromobenzoyl)-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C21H14BrN4OS+ MolecularWeight: 450.33106

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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=C(C=C4)Br)N)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN4OS/c22-13-8-6-12(7-9-13)18(27)19-17(24)16-15(11-4-2-1-3-5-11)14(10-23)20(25)26-21(16)28-19/h1-9H,24H2,(H2,25,26)/p+1