N-(4-bromanyl-3-methyl-phenyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-(4-bromo-3-methyl-phenyl)triazole-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-(4-bromo-3-methylphenyl)triazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-bromo-3-methyl-phenyl)triazole-4-carboxamide Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O/c1-12-9-14(7-8-15(12)18)19-17(23)16-11-22(21-20-16)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,23)