N,N-diethyl-3-nitro-4-[(2E)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]hydrazinyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2E)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]hydrazinyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2E)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]hydrazino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2E)-2-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]hydrazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2E)-2-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(N'E)-N'-[3-nitro-4-(2-pyrimidylthio)benzylidene]hydrazino]benzenesulfonamide Formula: C21H21N7O6S2 MolecularWeight: 531.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O6S2/c1-3-26(4-2)36(33,34)16-7-8-17(18(13-16)27(29)30)25-24-14-15-6-9-20(19(12-15)28(31)32)35-21-22-10-5-11-23-21/h5-14,25H,3-4H2,1-2H3/b24-14+