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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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