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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2,3,4,5,6-pentakis(bromanyl)phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4,5,6-pentabromophenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,3,4,5,6-pentabromophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4,5,6-pentabromophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,3,4,5,6-pentabromophenyl)acetamide Formula: C10H6Br5N5OS MolecularWeight: 643.77254

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)NC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)SC2=NNC(=N2)N

Isomeric SMILES

C(C(=O)NC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)SC2=NNC(=N2)N

InChI

InChI=1S/C10H6Br5N5OS/c11-3-4(12)6(14)8(7(15)5(3)13)17-2(21)1-22-10-18-9(16)19-20-10/h1H2,(H,17,21)(H3,16,18,19,20)