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

Systemtic Name: 5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(2-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2-chloro-4-methyl-phenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2-chloro-4-methylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(2-chloro-4-methyl-phenyl)triazole-4-carboxamide Formula: C17H14BrClFN5O MolecularWeight: 438.681363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)Cl

InChI

InChI=1S/C17H14BrClFN5O/c1-9-2-5-14(12(19)6-9)22-17(26)15-16(21)25(24-23-15)8-10-3-4-11(18)7-13(10)20/h2-7H,8,21H2,1H3,(H,22,26)