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

Systemtic Name: N-[3-(4-bromophenyl)sulfanyl-5-nitro-phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[3-(4-bromophenyl)sulfanyl-5-nitro-phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-[3-[(4-bromophenyl)thio]-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-[3-[(4-bromophenyl)thio]-5-nitro-phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C16H11BrN6O5S MolecularWeight: 479.26474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrN6O5S/c17-10-1-3-13(4-2-10)29-14-6-11(5-12(7-14)22(25)26)19-15(24)8-21-9-18-16(20-21)23(27)28/h1-7,9H,8H2,(H,19,24)