1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-(2-furylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(2-furfurylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c26-19(15-28-17-10-5-2-6-11-17)25-21(22-14-18-12-7-13-27-18)23-20(24-25)16-8-3-1-4-9-16/h1-13H,14-15H2,(H,22,23,24)