5-(1-benzothiophen-3-ylmethyl)-1H-imidazole; (E)-but-2-enedioate

Systemtic Name: 5-(1-benzothiophen-3-ylmethyl)-1H-imidazole; (E)-but-2-enedioate Openeye Name: 5-(benzothiophen-3-ylmethyl)-1H-imidazole; (E)-but-2-enedioate CAS Name: 5-(1-benzothiophen-3-ylmethyl)-1H-imidazole; (E)-2-butenedioate IUPAC Name: 5-(1-benzothiophen-3-ylmethyl)-1H-imidazole; (E)-but-2-enedioate Traditional Name: 5-(benzothiophen-3-ylmethyl)-1H-imidazole fumarate Formula: C16H12N2O4S-2 MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC3=CN=CN3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC3=CN=CN3.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H10N2S.C4H4O4/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10;5-3(6)1-2-4(7)8/h1-4,6-8H,5H2,(H,13,14);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+