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

Systemtic Name: N-(4-methylphenyl)-3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-(benzenesulfonylmethyl)-3-phenyl-N-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine CAS Name: 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 2-(benzenesulfonylmethyl)-N-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine Traditional Name: [2-(besylmethyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-(p-tolyl)amine Formula: C22H20N3O2S2+ MolecularWeight: 422.5431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=[N+](S2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=[N+](S2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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