ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine Openeye Name: 1-(4-imidazol-1-ylphenyl)-N-[(5-phenyl-2-thienyl)methyl]ethanamine; oxalic acid CAS Name: 1-[4-(1-imidazolyl)phenyl]-N-[(5-phenyl-2-thiophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 1-(4-imidazol-1-ylphenyl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine; oxalic acid Traditional Name: 1-(4-imidazol-1-ylphenyl)ethyl-[(5-phenyl-2-thienyl)methyl]amine; oxalic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CC=C(S3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CC=C(S3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3S.C2H2O4/c1-17(18-7-9-20(10-8-18)25-14-13-23-16-25)24-15-21-11-12-22(26-21)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-14,16-17,24H,15H2,1H3;(H,3,4)(H,5,6)