4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-2-prop-2-enyl-pyrazole-3-carboxamide

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-2-prop-2-enyl-pyrazole-3-carboxamide Openeye Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-2-prop-2-enyl-3-pyrazolecarboxamide IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-2-prop-2-enylpyrazole-3-carboxamide Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-N-phenyl-pyrazole-3-carboxamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)NC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)NC4=CC=CC=C4)F

InChI

InChI=1S/C27H24FN3O4S/c1-4-16-31-26(27(32)29-20-8-6-5-7-9-20)24(19-12-15-23(35-2)22(28)17-19)25(30-31)18-10-13-21(14-11-18)36(3,33)34/h4-15,17H,1,16H2,2-3H3,(H,29,32)