3-(2-chloranyl-6-fluoranyl-phenyl)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole CAS Name: 3-(2-chloro-6-fluorophenyl)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole Traditional Name: 5-(2-chloro-6-fluoro-phenyl)-3-(3,4-dimethoxyphenyl)-1-mesyl-2-pyrazoline Formula: C18H18ClFN2O4S MolecularWeight: 412.862923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=C(C=CC=C3Cl)F)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=C(C=CC=C3Cl)F)S(=O)(=O)C)OC

InChI

InChI=1S/C18H18ClFN2O4S/c1-25-16-8-7-11(9-17(16)26-2)14-10-15(22(21-14)27(3,23)24)18-12(19)5-4-6-13(18)20/h4-9,15H,10H2,1-3H3