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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(2-furylmethylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-(2-furanylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(2-furfurylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C17H18N4O2 MolecularWeight: 310.35042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2/c1-3-15(22)21-17(18-11-14-5-4-10-23-14)19-16(20-21)13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,19,20)