1-(3,4-dichlorophenyl)sulfonyl-5-methylsulfanyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]indazol-3-one

Systemtic Name: 1-(3,4-dichlorophenyl)sulfonyl-5-methylsulfanyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]indazol-3-one Openeye Name: 1-(3,4-dichlorophenyl)sulfonyl-2-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methylsulfanyl-indazol-3-one CAS Name: 1-(3,4-dichlorophenyl)sulfonyl-2-[(2-hydroxy-5-nitrophenyl)methyl]-5-(methylthio)-3-indazolone IUPAC Name: 1-(3,4-dichlorophenyl)sulfonyl-2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methylsulfanylindazol-3-one Traditional Name: 1-(3,4-dichlorophenyl)sulfonyl-2-(2-hydroxy-5-nitro-benzyl)-5-(methylthio)indazolin-3-one Formula: C21H15Cl2N3O6S2 MolecularWeight: 540.3963

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(N(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])O)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=CC2=C(C=C1)N(N(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])O)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3O6S2/c1-33-14-3-6-19-16(9-14)21(28)24(11-12-8-13(26(29)30)2-7-20(12)27)25(19)34(31,32)15-4-5-17(22)18(23)10-15/h2-10,27H,11H2,1H3