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

Systemtic Name: 3,4,5-trimethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-benzohydrazide Openeye Name: 3,4,5-trimethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide CAS Name: 3,4,5-trimethoxy-N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]benzohydrazide IUPAC Name: 3,4,5-trimethoxy-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide Traditional Name: 3,4,5-trimethoxy-N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]benzohydrazide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H21N5O5S/c1-28-15-8-14(9-16(29-2)17(15)30-3)19(27)24-23-18(26)13-6-4-12(5-7-13)10-31-20-21-11-22-25-20/h4-9,11H,10H2,1-3H3,(H,23,26)(H,24,27)(H,21,22,25)