3-azanyl-4-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C10H11BrN4O2S MolecularWeight: 331.18894

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1)CSCCNC2=C(C(=O)C2=O)N)Br

Isomeric SMILES

C1=NC(=C(N1)CSCCNC2=C(C(=O)C2=O)N)Br

InChI

InChI=1S/C10H11BrN4O2S/c11-10-5(14-4-15-10)3-18-2-1-13-7-6(12)8(16)9(7)17/h4,13H,1-3,12H2,(H,14,15)