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

Systemtic Name: 3-ethyl-4-(4-methylphenyl)-N-naphthalen-1-yl-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: 3-ethyl-N-(1-naphthyl)-4-(p-tolyl)-3H-thiazol-3-ium-2-imine bromide CAS Name: 3-ethyl-4-(4-methylphenyl)-N-(1-naphthalenyl)-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-ethyl-4-(4-methylphenyl)-N-naphthalen-1-yl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: [3-ethyl-4-(p-tolyl)-4-thiazolin-3-ium-2-ylidene]-(1-naphthyl)amine bromide Formula: C22H21BrN2S MolecularWeight: 425.38454

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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)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2S.BrH/c1-3-24-21(18-13-11-16(2)12-14-18)15-25-22(24)23-20-10-6-8-17-7-4-5-9-19(17)20;/h4-15H,3H2,1-2H3;1H