3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-(4-chlorophenyl)sulfonyl-pyrazole

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-(4-chlorophenyl)sulfonyl-pyrazole Openeye Name: 3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-(4-chlorophenyl)sulfonyl-pyrazole CAS Name: 1-(4-chlorophenyl)sulfonyl-3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]pyrazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-1-(4-chlorophenyl)sulfonylpyrazole Traditional Name: 1-(4-chlorophenyl)sulfonyl-3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]pyrazole Formula: C21H13Cl2N3O4S2 MolecularWeight: 506.38162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O4S2/c22-14-1-6-17(7-2-14)31-21-10-5-16(26(27)28)13-19(21)20-11-12-25(24-20)32(29,30)18-8-3-15(23)4-9-18/h1-13H