6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b][1,3]thiazol-4-ium bromide

Systemtic Name: 6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b][1,3]thiazol-4-ium bromide Openeye Name: 6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b]thiazol-4-ium bromide CAS Name: 6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b]thiazol-4-ium bromide IUPAC Name: 6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b][1,3]thiazol-4-ium bromide Traditional Name: 6-(3-nitrophenyl)-7-phenyl-2,3-dihydroimidazo[5,1-b]thiazol-4-ium bromide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(N(C=[N+]21)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CSC2=C(N(C=[N+]21)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C17H14N3O2S.BrH/c21-20(22)15-8-4-7-14(11-15)19-12-18-9-10-23-17(18)16(19)13-5-2-1-3-6-13;/h1-8,11-12H,9-10H2;1H/q+1;/p-1