2-(cyanomethylsulfanyl)-N'-(4-hexoxyphenyl)carbonyl-benzohydrazide

Systemtic Name: 2-(cyanomethylsulfanyl)-N'-(4-hexoxyphenyl)carbonyl-benzohydrazide Openeye Name: 2-(cyanomethylsulfanyl)-N'-(4-hexoxybenzoyl)benzohydrazide CAS Name: 2-(cyanomethylthio)-N'-[(4-hexoxyphenyl)-oxomethyl]benzohydrazide IUPAC Name: 2-(cyanomethylsulfanyl)-N'-(4-hexoxybenzoyl)benzohydrazide Traditional Name: 2-(cyanomethylthio)-N'-(4-hexoxybenzoyl)benzohydrazide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C22H25N3O3S/c1-2-3-4-7-15-28-18-12-10-17(11-13-18)21(26)24-25-22(27)19-8-5-6-9-20(19)29-16-14-23/h5-6,8-13H,2-4,7,15-16H2,1H3,(H,24,26)(H,25,27)