N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: N-(m-tolyl)-4-(4-nitrophenyl)thiazol-3-ium-2-amine bromide CAS Name: N-(3-methylphenyl)-4-(4-nitrophenyl)-2-thiazol-3-iumamine bromide IUPAC Name: N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: m-tolyl-[4-(4-nitrophenyl)thiazol-3-ium-2-yl]amine bromide Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=[NH+]C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=[NH+]C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H13N3O2S.BrH/c1-11-3-2-4-13(9-11)17-16-18-15(10-22-16)12-5-7-14(8-6-12)19(20)21;/h2-10H,1H3,(H,17,18);1H