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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

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