2,3-diphenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide

Systemtic Name: 2,3-diphenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: N-benzyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 2,3-diphenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: N-benzyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: benzyl-(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)amine bromide Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=[N+](S2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=[N+](S2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H17N3S.BrH/c1-4-10-17(11-5-1)16-22-21-23-20(18-12-6-2-7-13-18)24(25-21)19-14-8-3-9-15-19;/h1-15H,16H2;1H