N,4-diphenyl-3-(phenylmethyl)-3H-1,3-thiazol-3-ium-2-imine bromide

Systemtic Name: N,4-diphenyl-3-(phenylmethyl)-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: 3-benzyl-N,4-diphenyl-3H-thiazol-3-ium-2-imine bromide CAS Name: N,4-diphenyl-3-(phenylmethyl)-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-benzyl-N,4-diphenyl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: (3-benzyl-4-phenyl-4-thiazolin-3-ium-2-ylidene)-phenyl-amine bromide Formula: C22H19BrN2S MolecularWeight: 423.36866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]2C(=CSC2=NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+]2C(=CSC2=NC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H18N2S.BrH/c1-4-10-18(11-5-1)16-24-21(19-12-6-2-7-13-19)17-25-22(24)23-20-14-8-3-9-15-20;/h1-15,17H,16H2;1H