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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-(2-furylmethylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-(2-furanylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(2-furfurylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C(C)C

InChI

InChI=1S/C18H20N4O2/c1-12(2)17(23)22-18(19-11-15-5-4-10-24-15)20-16(21-22)14-8-6-13(3)7-9-14/h4-10,12H,11H2,1-3H3,(H,19,20,21)