5-azanyl-7-(4-bromophenyl)-2-phenylazanyl-thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile

Systemtic Name: 5-azanyl-7-(4-bromophenyl)-2-phenylazanyl-thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile Openeye Name: 5-amino-2-anilino-7-(4-bromophenyl)thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile CAS Name: 5-amino-2-anilino-7-(4-bromophenyl)thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile IUPAC Name: 5-amino-2-anilino-7-(4-bromophenyl)thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile Traditional Name: 5-amino-2-anilino-7-(4-bromophenyl)thieno[3,2-b]pyridin-4-ium-3,6-dicarbonitrile Formula: C21H13BrN5S+ MolecularWeight: 447.33042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C3=C(S2)C(=C(C(=[NH+]3)N)C#N)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C3=C(S2)C(=C(C(=[NH+]3)N)C#N)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C21H12BrN5S/c22-13-8-6-12(7-9-13)17-15(10-23)20(25)27-18-16(11-24)21(28-19(17)18)26-14-4-2-1-3-5-14/h1-9,26H,(H2,25,27)/p+1