3-nitro-5-[2-(phenethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol hydrobromide

Systemtic Name: 3-nitro-5-[2-(phenethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol hydrobromide Openeye Name: 3-nitro-5-[2-(phenethylamino)thiazol-4-yl]benzene-1,2-diol hydrobromide CAS Name: 3-nitro-5-[2-(phenethylamino)-4-thiazolyl]benzene-1,2-diol hydrobromide IUPAC Name: 3-nitro-5-[2-(phenethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol hydrobromide Traditional Name: 3-nitro-5-[2-(phenethylamino)thiazol-4-yl]pyrocatechol hydrobromide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-].Br

InChI

InChI=1S/C17H15N3O4S.BrH/c21-15-9-12(8-14(16(15)22)20(23)24)13-10-25-17(19-13)18-7-6-11-4-2-1-3-5-11;/h1-5,8-10,21-22H,6-7H2,(H,18,19);1H