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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-(2-furylmethylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-(2-furanylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(2-furfurylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-16-9-11-17(12-10-16)21-24-22(23-14-19-8-5-13-28-19)26(25-21)20(27)15-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,23,24,25)