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

Systemtic Name: 3,6-bis(azanyl)-2-(4-bromophenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-bromobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-bromophenyl)-oxomethyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-bromobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-bromobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C15H10BrN4OS+ MolecularWeight: 374.2351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)Br

InChI

InChI=1S/C15H9BrN4OS/c16-9-3-1-7(2-4-9)12(21)13-11(18)10-5-8(6-17)14(19)20-15(10)22-13/h1-5H,18H2,(H2,19,20)/p+1