(3S)-N'-[2-(3-bromanylphenoxy)ethanoyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carbohydrazide

Systemtic Name: (3S)-N'-[2-(3-bromanylphenoxy)ethanoyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carbohydrazide Openeye Name: (3S)-N'-[2-(3-bromophenoxy)acetyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbohydrazide CAS Name: (3S)-N'-[2-(3-bromophenoxy)-1-oxoethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarbohydrazide IUPAC Name: (3S)-N'-[2-(3-bromophenoxy)acetyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide Traditional Name: (3S)-N'-[2-(3-bromophenoxy)acetyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carbohydrazide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NNC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)NNC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O4S/c1-29-17-7-3-5-15(10-17)24-11-13(8-19(24)26)20(27)23-22-18(25)12-28-16-6-2-4-14(21)9-16/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,25)(H,23,27)/t13-/m0/s1