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

Systemtic Name: 1-(4-methylphenyl)-N-(1-phenylethyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: N-(1-phenylethyl)-1-(p-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 2-mercapto-1-(4-methylphenyl)-N-(1-phenylethyl)-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(1-phenylethyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 2-mercapto-N-(1-phenylethyl)-1-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-16-11-13-19(14-12-16)26-20-10-6-7-15-25(20)21(23(26)28)22(27)24-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H-,24,27,28)/p+1