5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(4-bromophenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(4-bromophenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(4-bromophenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-bromophenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-bromophenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(4-bromophenyl)triazole-4-carboxamide Formula: C16H12Br2FN5O MolecularWeight: 469.105783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)Br

InChI

InChI=1S/C16H12Br2FN5O/c17-10-3-5-12(6-4-10)21-16(25)14-15(20)24(23-22-14)8-9-1-2-11(18)7-13(9)19/h1-7H,8,20H2,(H,21,25)