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

Systemtic Name: 3,6-bis(azanyl)-2-(4-bromophenyl)carbonyl-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-bromobenzoyl)-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-bromophenyl)-oxomethyl]-4-ethyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-bromobenzoyl)-4-ethylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-bromobenzoyl)-4-ethyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C17H14BrN4OS+ MolecularWeight: 402.28826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)N)C#N

InChI

InChI=1S/C17H13BrN4OS/c1-2-10-11(7-19)16(21)22-17-12(10)13(20)15(24-17)14(23)8-3-5-9(18)6-4-8/h3-6H,2,20H2,1H3,(H2,21,22)/p+1