1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[5-[(4-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C16H15BrN4O3 MolecularWeight: 391.2193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c1-23-10-14(22)21-16(18-9-11-4-6-12(17)7-5-11)19-15(20-21)13-3-2-8-24-13/h2-8H,9-10H2,1H3,(H,18,19,20)