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

Systemtic Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2/c1-12(2)9-16(24)23-18(20-11-13-5-3-6-14(19)10-13)21-17(22-23)15-7-4-8-25-15/h3-8,10,12H,9,11H2,1-2H3,(H,20,21,22)