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

Systemtic Name: ethanedioic acid; 1-(furan-2-yl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine Openeye Name: 1-(2-furyl)-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]methanamine; oxalic acid CAS Name: 1-(2-furanyl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(furan-2-yl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine; oxalic acid Traditional Name: 2-furfuryl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCC4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCC4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H17N3OS.C2H2O4/c1-2-6-16(7-3-1)22-14-15(12-20-13-17-8-4-10-23-17)19(21-22)18-9-5-11-24-18;3-1(4)2(5)6/h1-11,14,20H,12-13H2;(H,3,4)(H,5,6)