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

Systemtic Name: ethanedioic acid; N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-2-pyridin-2-yl-ethanamine Openeye Name: oxalic acid; N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-(2-pyridyl)ethanamine CAS Name: oxalic acid; N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-2-(2-pyridinyl)ethanamine IUPAC Name: oxalic acid; N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine Traditional Name: oxalic acid; [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-pyridyl)ethyl]amine Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCCC4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCCC4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H20N4S.C2H2O4/c1-2-8-19(9-3-1)25-16-17(21(24-25)20-10-6-14-26-20)15-22-13-11-18-7-4-5-12-23-18;3-1(4)2(5)6/h1-10,12,14,16,22H,11,13,15H2;(H,3,4)(H,5,6)