2-[[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-[(4-methylsulfanylphenyl)methylene]hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[2-[2-[[4-(methylthio)phenyl]methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[2-[N'-[4-(methylthio)benzylidene]hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid Formula: C21H18N4O6S2 MolecularWeight: 486.52082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H18N4O6S2/c1-32-16-9-6-14(7-10-16)13-22-23-19-11-8-15(25(28)29)12-20(19)33(30,31)24-18-5-3-2-4-17(18)21(26)27/h2-13,23-24H,1H3,(H,26,27)