2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-methylphenyl)ethanamide Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(m-tolyl)acetamide CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-N-(3-methylphenyl)acetamide IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-methylphenyl)acetamide Traditional Name: 2-(2-imidazolin-1-ium-2-ylthio)-N-(m-tolyl)acetamide Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=[NH+]CCN2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=[NH+]CCN2

InChI

InChI=1S/C12H15N3OS/c1-9-3-2-4-10(7-9)15-11(16)8-17-12-13-5-6-14-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)/p+1