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

Systemtic Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN4O2/c22-17-9-4-8-16(12-17)14-23-21-24-20(18-10-5-11-28-18)25-26(21)19(27)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24,25)