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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-(2-furylmethylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(2-furanylmethylamino)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furfurylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C17H17ClN4O2 MolecularWeight: 344.79548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O2/c1-2-4-15(23)22-17(19-11-14-5-3-10-24-14)20-16(21-22)12-6-8-13(18)9-7-12/h3,5-10H,2,4,11H2,1H3,(H,19,20,21)