4-(4-chlorophenyl)sulfanyl-5-methyl-1-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-1-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-1-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(4-chlorophenyl)thio]-5-methyl-1-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-1-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-chlorophenyl)thio]-5-methyl-1-nosyl-2-phenyl-3-pyrazolin-3-one Formula: C22H16ClN3O5S2 MolecularWeight: 501.96254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O5S2/c1-15-21(32-19-11-7-16(23)8-12-19)22(27)24(17-5-3-2-4-6-17)25(15)33(30,31)20-13-9-18(10-14-20)26(28)29/h2-14H,1H3