N-[2,3,4,5,6-pentakis(bromanyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,3,4,5,6-pentakis(bromanyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4,5,6-pentabromophenyl)acetamide CAS Name: N-(2,3,4,5,6-pentabromophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3,4,5,6-pentabromophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(2,3,4,5,6-pentabromophenyl)acetamide Formula: C13H11Br5N4OS MolecularWeight: 670.83764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

InChI

InChI=1S/C13H11Br5N4OS/c1-4(2)12-20-13(22-21-12)24-3-5(23)19-11-9(17)7(15)6(14)8(16)10(11)18/h4H,3H2,1-2H3,(H,19,23)(H,20,21,22)