4-(4-bromophenyl)-6-diazonio-2-(4-methoxyphenyl)-7-oxidanylidene-thieno[3,2-b]pyridin-5-olate

Systemtic Name: 4-(4-bromophenyl)-6-diazonio-2-(4-methoxyphenyl)-7-oxidanylidene-thieno[3,2-b]pyridin-5-olate Openeye Name: 4-(4-bromophenyl)-6-diazonio-2-(4-methoxyphenyl)-7-oxo-thieno[3,2-b]pyridin-5-olate CAS Name: 4-(4-bromophenyl)-6-diazonio-2-(4-methoxyphenyl)-7-oxo-5-thieno[3,2-b]pyridinolate IUPAC Name: 4-(4-bromophenyl)-6-diazonio-2-(4-methoxyphenyl)-7-oxothieno[3,2-b]pyridin-5-olate Traditional Name: 4-(4-bromophenyl)-6-diazonio-7-keto-2-(4-methoxyphenyl)thieno[3,2-b]pyridin-5-olate Formula: C20H12BrN3O3S MolecularWeight: 454.29658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)C(=C(N3C4=CC=C(C=C4)Br)[O-])[N+]#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)C(=C(N3C4=CC=C(C=C4)Br)[O-])[N+]#N

InChI

InChI=1S/C20H12BrN3O3S/c1-27-14-8-2-11(3-9-14)16-10-15-19(28-16)18(25)17(23-22)20(26)24(15)13-6-4-12(21)5-7-13/h2-10H,1H3