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

Systemtic Name: ethanedioic acid; 1-phenyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine Openeye Name: oxalic acid; 1-phenyl-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]methanamine CAS Name: oxalic acid; 1-phenyl-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]methanamine IUPAC Name: oxalic acid; 1-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine Traditional Name: benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H19N3S.C2H2O4/c1-3-8-17(9-4-1)14-22-15-18-16-24(19-10-5-2-6-11-19)23-21(18)20-12-7-13-25-20;3-1(4)2(5)6/h1-13,16,22H,14-15H2;(H,3,4)(H,5,6)