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

Systemtic Name: 5-[2-(1-adamantylamino)-1,3-thiazol-5-yl]-3-nitro-benzene-1,2-diol hydrobromide Openeye Name: 5-[2-(1-adamantylamino)thiazol-5-yl]-3-nitro-benzene-1,2-diol hydrobromide CAS Name: 5-[2-(1-adamantylamino)-5-thiazolyl]-3-nitrobenzene-1,2-diol hydrobromide IUPAC Name: 5-[2-(1-adamantylamino)-1,3-thiazol-5-yl]-3-nitrobenzene-1,2-diol hydrobromide Traditional Name: 5-[2-(1-adamantylamino)thiazol-5-yl]-3-nitro-pyrocatechol hydrobromide Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(S4)C5=CC(=C(C(=C5)O)O)[N+](=O)[O-].Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(S4)C5=CC(=C(C(=C5)O)O)[N+](=O)[O-].Br

InChI

InChI=1S/C19H21N3O4S.BrH/c23-15-5-13(4-14(17(15)24)22(25)26)16-9-20-18(27-16)21-19-6-10-1-11(7-19)3-12(2-10)8-19;/h4-5,9-12,23-24H,1-3,6-8H2,(H,20,21);1H