5-[(4-bromanylthiophen-3-yl)methyl]-1H-imidazole; (E)-but-2-enedioate

Systemtic Name: 5-[(4-bromanylthiophen-3-yl)methyl]-1H-imidazole; (E)-but-2-enedioate Openeye Name: 5-[(4-bromo-3-thienyl)methyl]-1H-imidazole; (E)-but-2-enedioate CAS Name: 5-[(4-bromo-3-thiophenyl)methyl]-1H-imidazole; (E)-2-butenedioate IUPAC Name: 5-[(4-bromothiophen-3-yl)methyl]-1H-imidazole; (E)-but-2-enedioate Traditional Name: 5-[(4-bromo-3-thienyl)methyl]-1H-imidazole fumarate Formula: C12H9BrN2O4S-2 MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC2=CSC=C2Br.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=C(NC=N1)CC2=CSC=C2Br.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H7BrN2S.C4H4O4/c9-8-4-12-3-6(8)1-7-2-10-5-11-7;5-3(6)1-2-4(7)8/h2-5H,1H2,(H,10,11);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+