2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C25H20FN5O3S MolecularWeight: 489.521403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

InChI

InChI=1S/C25H20FN5O3S/c1-35(33,34)24-8-3-2-7-20(24)17-9-10-22(21(26)12-17)29-25(32)23-13-18(15-28)30-31(23)19-6-4-5-16(11-19)14-27/h2-13H,14,27H2,1H3,(H,29,32)