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

Systemtic Name: 1-(2-fluorophenyl)carbonyl-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one Openeye Name: 1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one CAS Name: 1-[(2-fluorophenyl)-oxomethyl]-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one Traditional Name: 1-(2-fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2=CC=CC=C2F)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2=CC=CC=C2F)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H16FN3O4S/c1-15-21(32-20-14-8-7-13-19(20)27(30)31)23(29)26(16-9-3-2-4-10-16)25(15)22(28)17-11-5-6-12-18(17)24/h2-14H,1H3