1-(4-methoxyphenyl)-N3-(4-methylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide

Systemtic Name: 1-(4-methoxyphenyl)-N3-(4-methylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Openeye Name: 1-(4-methoxyphenyl)-N3-(p-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide CAS Name: 2-mercapto-1-(4-methoxyphenyl)-N3-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide IUPAC Name: 1-(4-methoxyphenyl)-3-N-(4-methylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Traditional Name: 2-mercapto-1-(4-methoxyphenyl)-N-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Formula: C23H21N4O3S+ MolecularWeight: 433.50284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)S

InChI

InChI=1S/C23H20N4O3S/c1-14-3-6-16(7-4-14)25-22(29)20-23(31)27(17-8-10-18(30-2)11-9-17)19-12-5-15(21(24)28)13-26(19)20/h3-13H,1-2H3,(H3-,24,25,28,29,31)/p+1