5-[1-[3,4-bis(bromanyl)thiophen-2-yl]ethyl]-1H-imidazole; (E)-but-2-enedioate

Systemtic Name: 5-[1-[3,4-bis(bromanyl)thiophen-2-yl]ethyl]-1H-imidazole; (E)-but-2-enedioate Openeye Name: (E)-but-2-enedioate; 5-[1-(3,4-dibromo-2-thienyl)ethyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[1-(3,4-dibromo-2-thiophenyl)ethyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[1-(3,4-dibromothiophen-2-yl)ethyl]-1H-imidazole Traditional Name: 5-[1-(3,4-dibromo-2-thienyl)ethyl]-1H-imidazole fumarate Formula: C13H10Br2N2O4S-2 MolecularWeight: 450.1025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)C2=C(C(=CS2)Br)Br.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CN=CN1)C2=C(C(=CS2)Br)Br.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H8Br2N2S.C4H4O4/c1-5(7-2-12-4-13-7)9-8(11)6(10)3-14-9;5-3(6)1-2-4(7)8/h2-5H,1H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+