1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol hydrobromide

Systemtic Name: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol hydrobromide Openeye Name: 2-(2-allylimino-4-phenyl-thiazol-3-yl)-1-(4-nitrophenyl)propane-1,3-diol hydrobromide CAS Name: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-3-thiazolyl)propane-1,3-diol hydrobromide IUPAC Name: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol hydrobromide Traditional Name: 2-(2-allylimino-4-phenyl-4-thiazolin-3-yl)-1-(4-nitrophenyl)propane-1,3-diol hydrobromide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C1N(C(=CS1)C2=CC=CC=C2)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O.Br

Isomeric SMILES

C=CCN=C1N(C(=CS1)C2=CC=CC=C2)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O.Br

InChI

InChI=1S/C21H21N3O4S.BrH/c1-2-12-22-21-23(19(14-29-21)15-6-4-3-5-7-15)18(13-25)20(26)16-8-10-17(11-9-16)24(27)28;/h2-11,14,18,20,25-26H,1,12-13H2;1H