2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C13H12BrN5OS MolecularWeight: 366.23628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NCCC#N)Br

InChI

InChI=1S/C13H12BrN5OS/c14-10-5-2-1-4-9(10)12-17-13(19-18-12)21-8-11(20)16-7-3-6-15/h1-2,4-5H,3,7-8H2,(H,16,20)(H,17,18,19)