3-azanyl-4-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC2=C(C(=O)C2=O)N)Br

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC2=C(C(=O)C2=O)N)Br

InChI

InChI=1S/C12H12BrN3O2S/c13-7-2-1-3-15-8(7)6-19-5-4-16-10-9(14)11(17)12(10)18/h1-3,16H,4-6,14H2