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

Systemtic Name: 6-bromanyl-N,1-bis(4-methylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: 6-bromo-N,1-bis(p-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 6-bromo-2-mercapto-N,1-bis(4-methylphenyl)-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: 6-bromo-N,1-bis(4-methylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 6-bromo-2-mercapto-N,1-bis(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C22H19BrN3OS+ MolecularWeight: 453.37476

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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)Br)C4=CC=C(C=C4)C)S

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3OS/c1-14-3-8-17(9-4-14)24-21(27)20-22(28)26(18-10-5-15(2)6-11-18)19-12-7-16(23)13-25(19)20/h3-13H,1-2H3,(H-,24,27,28)/p+1