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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3-(4-chlorophenyl)-5-(2-furylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3-(4-chlorophenyl)-5-(2-furanylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furfurylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4

InChI

InChI=1S/C21H17ClN4O3/c22-16-10-8-15(9-11-16)20-24-21(23-13-18-7-4-12-28-18)26(25-20)19(27)14-29-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,23,24,25)