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

Systemtic Name: 3-nitro-N'-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide Traditional Name: N'-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5S/c26-16(20-21-17(27)14-7-4-8-15(11-14)25(29)30)12-31-19-23-22-18(28)24(19)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,20,26)(H,21,27)(H,22,28)