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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[3-(4-chlorophenyl)-5-(2-furylmethylamino)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[3-(4-chlorophenyl)-5-(2-furanylmethylamino)-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furfurylamino)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CO3

Isomeric SMILES

COCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CO3

InChI

InChI=1S/C16H15ClN4O3/c1-23-10-14(22)21-16(18-9-13-3-2-8-24-13)19-15(20-21)11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3,(H,18,19,20)