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

Systemtic Name: 4-(4-bromophenyl)-N-phenyl-3-(phenylmethyl)-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: 3-benzyl-4-(4-bromophenyl)-N-phenyl-3H-thiazol-3-ium-2-imine bromide CAS Name: 4-(4-bromophenyl)-N-phenyl-3-(phenylmethyl)-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-benzyl-4-(4-bromophenyl)-N-phenyl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: [3-benzyl-4-(4-bromophenyl)-4-thiazolin-3-ium-2-ylidene]-phenyl-amine bromide Formula: C22H18Br2N2S MolecularWeight: 502.26472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2S.BrH/c23-19-13-11-18(12-14-19)21-16-26-22(24-20-9-5-2-6-10-20)25(21)15-17-7-3-1-4-8-17;/h1-14,16H,15H2;1H