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

Systemtic Name: 2-(4-methylphenyl)-N,3-diphenyl-imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Openeye Name: N,3-diphenyl-2-(p-tolyl)imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate CAS Name: 2-(4-methylphenyl)-N,3-diphenyl-1-imidazo[1,5-a]pyridin-4-iumcarboximidothioate IUPAC Name: 2-(4-methylphenyl)-N,3-diphenylimidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Traditional Name: N,3-diphenyl-2-(p-tolyl)imidazo[1,5-a]pyridin-4-ium-1-carboximidothioate Formula: C27H21N3S MolecularWeight: 419.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C=CC=C[N+]3=C2C4=CC=CC=C4)C(=NC5=CC=CC=C5)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C=CC=C[N+]3=C2C4=CC=CC=C4)C(=NC5=CC=CC=C5)[S-]

InChI

InChI=1S/C27H21N3S/c1-20-15-17-23(18-16-20)30-25(26(31)28-22-12-6-3-7-13-22)24-14-8-9-19-29(24)27(30)21-10-4-2-5-11-21/h2-19H,1H3