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

Systemtic Name: 5-azanyl-1-[(4-bromophenyl)methyl]-N-(2-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2-chloro-4-methyl-phenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2-chloro-4-methylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromobenzyl)-N-(2-chloro-4-methyl-phenyl)triazole-4-carboxamide Formula: C17H15BrClN5O MolecularWeight: 420.6909

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN5O/c1-10-2-7-14(13(19)8-10)21-17(25)15-16(20)24(23-22-15)9-11-3-5-12(18)6-4-11/h2-8H,9,20H2,1H3,(H,21,25)