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

Systemtic Name: (E)-but-2-enedioate; 5-[(4-methylthiophen-3-yl)methyl]-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-[(4-methyl-3-thienyl)methyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[(4-methyl-3-thiophenyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[(4-methylthiophen-3-yl)methyl]-1H-imidazole Traditional Name: 5-[(4-methyl-3-thienyl)methyl]-1H-imidazole fumarate Formula: C13H12N2O4S-2 MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1CC2=CN=CN2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CSC=C1CC2=CN=CN2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H10N2S.C4H4O4/c1-7-4-12-5-8(7)2-9-3-10-6-11-9;5-3(6)1-2-4(7)8/h3-6H,2H2,1H3,(H,10,11);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+