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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromanyl-4-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-nitro-phenyl)-2-phenyl-acetamide Formula: C16H13BrN6O3S MolecularWeight: 449.28182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC3=NNC(=N3)N

InChI

InChI=1S/C16H13BrN6O3S/c17-11-8-10(23(25)26)6-7-12(11)19-14(24)13(9-4-2-1-3-5-9)27-16-20-15(18)21-22-16/h1-8,13H,(H,19,24)(H3,18,20,21,22)