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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-(2-furylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(2-furanylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furfurylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C16H15ClN4O2 MolecularWeight: 330.7689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2/c1-2-14(22)21-16(18-10-13-4-3-9-23-13)19-15(20-21)11-5-7-12(17)8-6-11/h3-9H,2,10H2,1H3,(H,18,19,20)