2-[2-[(2E)-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[2-[(2E)-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[2-[(2E)-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]hydrazino]-2-oxo-ethyl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[2-[(2E)-2-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thio]-N-phenylacetamide IUPAC Name: 2-[2-[(2E)-2-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2-keto-2-[(N'E)-N'-(5-nitro-2-pyrrolidino-benzylidene)hydrazino]ethyl]thio]-N-phenyl-acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CSCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)CSCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O4S/c27-20(23-17-6-2-1-3-7-17)14-31-15-21(28)24-22-13-16-12-18(26(29)30)8-9-19(16)25-10-4-5-11-25/h1-3,6-9,12-13H,4-5,10-11,14-15H2,(H,23,27)(H,24,28)/b22-13+