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

Systemtic Name: 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide Openeye Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide CAS Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrazole-3-carboxamide Traditional Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-N-phenyl-pyrazole-3-carboxamide Formula: C26H21FN4O4S MolecularWeight: 504.532743

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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#N)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#N)C(=O)NC4=CC=CC=C4)F

InChI

InChI=1S/C26H21FN4O4S/c1-35-22-13-10-18(16-21(22)27)23-24(17-8-11-20(12-9-17)36(2,33)34)30-31(15-14-28)25(23)26(32)29-19-6-4-3-5-7-19/h3-13,16H,15H2,1-2H3,(H,29,32)