2-(4-methoxyphenyl)-N,3-diphenyl-imidazo[1,5-a]pyridin-4-ium-1-carbothioamide

Systemtic Name: 2-(4-methoxyphenyl)-N,3-diphenyl-imidazo[1,5-a]pyridin-4-ium-1-carbothioamide Openeye Name: 2-(4-methoxyphenyl)-N,3-diphenyl-imidazo[1,5-a]pyridin-4-ium-1-carbothioamide CAS Name: 2-(4-methoxyphenyl)-N,3-diphenyl-1-imidazo[1,5-a]pyridin-4-iumcarbothioamide IUPAC Name: 2-(4-methoxyphenyl)-N,3-diphenylimidazo[1,5-a]pyridin-4-ium-1-carbothioamide Traditional Name: 2-(4-methoxyphenyl)-N,3-diphenyl-imidazo[1,5-a]pyridin-4-ium-1-carbothioamide Formula: C27H22N3OS+ MolecularWeight: 436.54808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3OS/c1-31-23-17-15-22(16-18-23)30-25(26(32)28-21-12-6-3-7-13-21)24-14-8-9-19-29(24)27(30)20-10-4-2-5-11-20/h2-19H,1H3/p+1