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

Systemtic Name: (E)-but-2-enedioate; 5-[(2,5-diethylthiophen-3-yl)methyl]-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-[(2,5-diethyl-3-thienyl)methyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[(2,5-diethyl-3-thiophenyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[(2,5-diethylthiophen-3-yl)methyl]-1H-imidazole Traditional Name: 5-[(2,5-diethyl-3-thienyl)methyl]-1H-imidazole fumarate Formula: C16H18N2O4S-2 MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)CC)CC2=CN=CN2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(S1)CC)CC2=CN=CN2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H16N2S.C4H4O4/c1-3-11-6-9(12(4-2)15-11)5-10-7-13-8-14-10;5-3(6)1-2-4(7)8/h6-8H,3-5H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+