N-(2-acetamidoethyl)-1-(3-bromophenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-1-(3-bromophenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-(3-bromophenyl)triazole-4-carboxamide CAS Name: N-(2-acetamidoethyl)-1-(3-bromophenyl)-4-triazolecarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-(3-bromophenyl)triazole-4-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-(3-bromophenyl)triazole-4-carboxamide Formula: C13H14BrN5O2 MolecularWeight: 352.18656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CN(N=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CN(N=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrN5O2/c1-9(20)15-5-6-16-13(21)12-8-19(18-17-12)11-4-2-3-10(14)7-11/h2-4,7-8H,5-6H2,1H3,(H,15,20)(H,16,21)