N-(4-methylphenyl)-1-phenyl-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-phenyl-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: 1-phenyl-N-(p-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 2-mercapto-N-(4-methylphenyl)-1-phenyl-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: N-(4-methylphenyl)-1-phenyl-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 2-mercapto-1-phenyl-N-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C21H18N3OS+ MolecularWeight: 360.45212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=CC=C4)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=CC=C4)S

InChI

InChI=1S/C21H17N3OS/c1-15-10-12-16(13-11-15)22-20(25)19-21(26)24(17-7-3-2-4-8-17)18-9-5-6-14-23(18)19/h2-14H,1H3,(H-,22,25,26)/p+1