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

Systemtic Name: 5-azanyl-1-[(4-bromophenyl)methyl]-N-(2,4-dimethylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2,4-dimethylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromobenzyl)-N-(2,4-dimethylphenyl)triazole-4-carboxamide Formula: C18H18BrN5O MolecularWeight: 400.27242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O/c1-11-3-8-15(12(2)9-11)21-18(25)16-17(20)24(23-22-16)10-13-4-6-14(19)7-5-13/h3-9H,10,20H2,1-2H3,(H,21,25)