(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methyl-2-thiophen-2-yl-aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methyl-2-thiophen-2-yl-aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methyl-2-(2-thienyl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methyl-2-thiophen-2-ylaniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methyl-2-thiophen-2-ylaniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[3-methyl-2-(2-thienyl)phenyl]amine Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCC2=NCCN2)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NCC2=NCCN2)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3S.C4H4O4/c1-11-4-2-5-12(15(11)13-6-3-9-19-13)18-10-14-16-7-8-17-14;5-3(6)1-2-4(7)8/h2-6,9,18H,7-8,10H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+