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

Systemtic Name: 5-[(4-bromanylthiophen-3-yl)-methoxy-methyl]-1H-imidazole; (E)-but-2-enedioate Openeye Name: 5-[(4-bromo-3-thienyl)-methoxy-methyl]-1H-imidazole; (E)-but-2-enedioate CAS Name: 5-[(4-bromo-3-thiophenyl)-methoxymethyl]-1H-imidazole; (E)-2-butenedioate IUPAC Name: 5-[(4-bromothiophen-3-yl)-methoxymethyl]-1H-imidazole; (E)-but-2-enedioate Traditional Name: 5-[(4-bromo-3-thienyl)-methoxy-methyl]-1H-imidazole fumarate Formula: C13H11BrN2O5S-2 MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CN=CN1)C2=CSC=C2Br.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC(C1=CN=CN1)C2=CSC=C2Br.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H9BrN2OS.C4H4O4/c1-13-9(8-2-11-5-12-8)6-3-14-4-7(6)10;5-3(6)1-2-4(7)8/h2-5,9H,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+