3-ethyl-N-naphthalen-1-yl-4-(4-nitrophenyl)-3H-1,3-thiazol-3-ium-2-imine bromide

Systemtic Name: 3-ethyl-N-naphthalen-1-yl-4-(4-nitrophenyl)-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: 3-ethyl-N-(1-naphthyl)-4-(4-nitrophenyl)-3H-thiazol-3-ium-2-imine bromide CAS Name: 3-ethyl-N-(1-naphthalenyl)-4-(4-nitrophenyl)-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-ethyl-N-naphthalen-1-yl-4-(4-nitrophenyl)-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: [3-ethyl-4-(4-nitrophenyl)-4-thiazolin-3-ium-2-ylidene]-(1-naphthyl)amine bromide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(=CSC1=NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[NH+]1C(=CSC1=NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H17N3O2S.BrH/c1-2-23-20(16-10-12-17(13-11-16)24(25)26)14-27-21(23)22-19-9-5-7-15-6-3-4-8-18(15)19;/h3-14H,2H2,1H3;1H