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

Systemtic Name: 4-(3-nitrophenyl)-N-(phenylmethyl)-1,3-thiazol-2-amine bromide Openeye Name: N-benzyl-4-(3-nitrophenyl)thiazol-2-amine bromide CAS Name: 4-(3-nitrophenyl)-N-(phenylmethyl)-2-thiazolamine bromide IUPAC Name: N-benzyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine bromide Traditional Name: benzyl-[4-(3-nitrophenyl)thiazol-2-yl]amine bromide Formula: C16H13BrN3O2S- MolecularWeight: 391.26232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H13N3O2S.BrH/c20-19(21)14-8-4-7-13(9-14)15-11-22-16(18-15)17-10-12-5-2-1-3-6-12;/h1-9,11H,10H2,(H,17,18);1H/p-1