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

Systemtic Name: ethanedioic acid; 2-phenyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]ethanamine Openeye Name: oxalic acid; 2-phenyl-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ethanamine CAS Name: oxalic acid; 2-phenyl-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ethanamine IUPAC Name: oxalic acid; 2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine Traditional Name: oxalic acid; phenethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3S.C2H2O4/c1-3-8-18(9-4-1)13-14-23-16-19-17-25(20-10-5-2-6-11-20)24-22(19)21-12-7-15-26-21;3-1(4)2(5)6/h1-12,15,17,23H,13-14,16H2;(H,3,4)(H,5,6)