1-(3-chloranyl-2-methyl-phenyl)-N-(2-methylphenyl)-8-oxidanyl-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-N-(2-methylphenyl)-8-oxidanyl-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide Openeye Name: 1-(3-chloro-2-methyl-phenyl)-8-hydroxy-N-(o-tolyl)-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-8-hydroxy-2-mercapto-N-(2-methylphenyl)-3-imidazo[2,1-a]isoquinolin-4-iumcarboxamide IUPAC Name: 1-(3-chloro-2-methylphenyl)-8-hydroxy-N-(2-methylphenyl)-2-sulfanylimidazo[2,1-a]isoquinolin-4-ium-3-carboxamide Traditional Name: 1-(3-chloro-2-methyl-phenyl)-8-hydroxy-2-mercapto-N-(o-tolyl)imidaz[2,1-a]isoquinolin-4-ium-3-carboxamide Formula: C26H21ClN3O2S+ MolecularWeight: 474.98184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N(C3=[N+]2C=CC4=C3C=CC(=C4)O)C5=C(C(=CC=C5)Cl)C)S

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N(C3=[N+]2C=CC4=C3C=CC(=C4)O)C5=C(C(=CC=C5)Cl)C)S

InChI

InChI=1S/C26H20ClN3O2S/c1-15-6-3-4-8-21(15)28-24(32)23-26(33)30(22-9-5-7-20(27)16(22)2)25-19-11-10-18(31)14-17(19)12-13-29(23)25/h3-14H,1-2H3,(H2,28,32,33)/p+1