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

Systemtic Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C17H17BrN4O2 MolecularWeight: 389.24648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)C(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN4O2/c1-11(2)16(23)22-17(19-10-12-5-3-6-13(18)9-12)20-15(21-22)14-7-4-8-24-14/h3-9,11H,10H2,1-2H3,(H,19,20,21)