3,4,5-triethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-benzohydrazide

Systemtic Name: 3,4,5-triethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-benzohydrazide Openeye Name: 3,4,5-triethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide CAS Name: 3,4,5-triethoxy-N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]benzohydrazide IUPAC Name: 3,4,5-triethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide Traditional Name: 3,4,5-triethoxy-N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]benzohydrazide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C23H27N5O5S/c1-4-31-18-11-17(12-19(32-5-2)20(18)33-6-3)22(30)27-26-21(29)16-9-7-15(8-10-16)13-34-23-24-14-25-28-23/h7-12,14H,4-6,13H2,1-3H3,(H,26,29)(H,27,30)(H,24,25,28)