[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C23H15Cl2N3O4S MolecularWeight: 500.3539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H15Cl2N3O4S/c1-14-21(33-18-10-7-15(24)8-11-18)22(27(26-14)16-5-3-2-4-6-16)32-23(29)19-13-17(28(30)31)9-12-20(19)25/h2-13H,1H3