3-chloranyl-1-(3-methoxy-4-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole

Systemtic Name: 3-chloranyl-1-(3-methoxy-4-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole Openeye Name: 3-chloro-1-(3-methoxy-4-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazole CAS Name: 3-chloro-1-(3-methoxy-4-nitrophenyl)-5-(4-methylsulfonylphenyl)pyrazole IUPAC Name: 3-chloro-1-(3-methoxy-4-nitrophenyl)-5-(4-methylsulfonylphenyl)pyrazole Traditional Name: 3-chloro-5-(4-mesylphenyl)-1-(3-methoxy-4-nitro-phenyl)pyrazole Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=CC(=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=CC(=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O5S/c1-26-16-9-12(5-8-14(16)21(22)23)20-15(10-17(18)19-20)11-3-6-13(7-4-11)27(2,24)25/h3-10H,1-2H3