3-(4-methylphenyl)-N-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine chloride

Systemtic Name: 3-(4-methylphenyl)-N-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine chloride Openeye Name: 2-(benzenesulfonylmethyl)-N-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine chloride CAS Name: 2-(benzenesulfonylmethyl)-3-(4-methylphenyl)-N-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride IUPAC Name: 2-(benzenesulfonylmethyl)-3-(4-methylphenyl)-N-phenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Traditional Name: [2-(besylmethyl)-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]-phenyl-amine chloride Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H19N3O2S2.ClH/c1-17-12-14-18(15-13-17)21-24-22(23-19-8-4-2-5-9-19)28-25(21)16-29(26,27)20-10-6-3-7-11-20;/h2-15H,16H2,1H3;1H