[2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium bromide

Systemtic Name: [2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium bromide Openeye Name: diphenyl-[3-phenyl-2-(p-tolylsulfonylmethyl)-1,2,4-thiadiazol-5-ylidene]ammonium bromide CAS Name: [2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylammonium bromide IUPAC Name: [2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylazanium bromide Traditional Name: diphenyl-[3-phenyl-2-(tosylmethyl)-1,2,4-thiadiazol-5-ylidene]ammonium bromide Formula: C28H24BrN3O2S2 MolecularWeight: 578.54306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)S2)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)S2)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H24N3O2S2.BrH/c1-22-17-19-26(20-18-22)35(32,33)21-30-27(23-11-5-2-6-12-23)29-28(34-30)31(24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,21H2,1H3;1H/q+1;/p-1