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

Systemtic Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one Openeye Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one CAS Name: 5-methyl-1-(2-nitrophenyl)sulfonyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one Traditional Name: 5-methyl-1-(2-nitrophenyl)sulfonyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C22H16N4O7S2 MolecularWeight: 512.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O7S2/c1-15-21(34-18-13-11-17(12-14-18)25(28)29)22(27)23(16-7-3-2-4-8-16)24(15)35(32,33)20-10-6-5-9-19(20)26(30)31/h2-14H,1H3