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

Systemtic Name: 5-azanyl-N-(4-bromanyl-3-methyl-phenyl)-1-[(3-fluorophenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(4-bromo-3-methyl-phenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(4-bromo-3-methylphenyl)-1-[(3-fluorophenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(4-bromo-3-methylphenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-N-(4-bromo-3-methyl-phenyl)-1-(3-fluorobenzyl)triazole-4-carboxamide Formula: C17H15BrFN5O MolecularWeight: 404.236303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrFN5O/c1-10-7-13(5-6-14(10)18)21-17(25)15-16(20)24(23-22-15)9-11-3-2-4-12(19)8-11/h2-8H,9,20H2,1H3,(H,21,25)