3-nitro-N'-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide Traditional Name: 3-nitro-N'-[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]benzohydrazide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c24-15(19-20-16(25)12-5-4-8-14(9-12)23(26)27)10-28-17-18-11-22(21-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,24)(H,20,25)