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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O/c1-12-5-7-13(8-6-12)10-21-18(25)16-17(20)24(23-22-16)11-14-3-2-4-15(19)9-14/h2-9H,10-11,20H2,1H3,(H,21,25)