ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]ethanamine Openeye Name: 1-(4-imidazol-1-ylphenyl)-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ethanamine; oxalic acid CAS Name: 1-[4-(1-imidazolyl)phenyl]-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ethanamine; oxalic acid IUPAC Name: 1-(4-imidazol-1-ylphenyl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine; oxalic acid Traditional Name: 1-(4-imidazol-1-ylphenyl)ethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H23N5S.C2H2O4/c1-19(20-9-11-22(12-10-20)29-14-13-26-18-29)27-16-21-17-30(23-6-3-2-4-7-23)28-25(21)24-8-5-15-31-24;3-1(4)2(5)6/h2-15,17-19,27H,16H2,1H3;(H,3,4)(H,5,6)