4-nitro-N'-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide

Systemtic Name: 4-nitro-N'-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: N'-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-nitro-benzohydrazide CAS Name: 4-nitro-N'-[1-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]benzohydrazide IUPAC Name: 4-nitro-N'-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide Traditional Name: N'-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-nitro-benzohydrazide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c1-8(2)12-15-14(19-17-12)25-7-11(21)16-18-13(22)9-3-5-10(6-4-9)20(23)24/h3-6,8H,7H2,1-2H3,(H,16,21)(H,18,22)(H,15,17,19)