N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate

Systemtic Name: N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Openeye Name: N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate CAS Name: N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenyl-1-imidazo[1,5-a]pyridin-4-iumcarboximidothioate IUPAC Name: N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Traditional Name: N-(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Formula: C27H20BrN3OS MolecularWeight: 514.4362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C3C=CC=C[N+]3=C2C4=CC=CC=C4)C(=NC5=CC=C(C=C5)Br)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C3C=CC=C[N+]3=C2C4=CC=CC=C4)C(=NC5=CC=C(C=C5)Br)[S-]

InChI

InChI=1S/C27H20BrN3OS/c1-32-23-16-14-22(15-17-23)31-25(26(33)29-21-12-10-20(28)11-13-21)24-9-5-6-18-30(24)27(31)19-7-3-2-4-8-19/h2-18H,1H3