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

Systemtic Name: 4-(4-nitrophenyl)-N-phenyl-3-(phenylmethyl)-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: 3-benzyl-4-(4-nitrophenyl)-N-phenyl-3H-thiazol-3-ium-2-imine bromide CAS Name: 4-(4-nitrophenyl)-N-phenyl-3-(phenylmethyl)-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-benzyl-4-(4-nitrophenyl)-N-phenyl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: [3-benzyl-4-(4-nitrophenyl)-4-thiazolin-3-ium-2-ylidene]-phenyl-amine bromide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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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)[N+](=O)[O-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2S.BrH/c26-25(27)20-13-11-18(12-14-20)21-16-28-22(23-19-9-5-2-6-10-19)24(21)15-17-7-3-1-4-8-17;/h1-14,16H,15H2;1H