2-[4,5-dihydro-1,3-thiazol-2-yl-(phenylmethyl)amino]-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4,5-dihydro-1,3-thiazol-2-yl-(phenylmethyl)amino]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[benzyl(4,5-dihydrothiazol-2-yl)amino]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4,5-dihydrothiazol-2-yl-(phenylmethyl)amino]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[benzyl(2-thiazolin-2-yl)amino]-1-(3-nitrophenyl)ethanone bromide Formula: C18H17BrN3O3S- MolecularWeight: 435.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)N(CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CSC(=N1)N(CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H17N3O3S.BrH/c22-17(15-7-4-8-16(11-15)21(23)24)13-20(18-19-9-10-25-18)12-14-5-2-1-3-6-14;/h1-8,11H,9-10,12-13H2;1H/p-1