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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Br)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Br)N

InChI

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