2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfanyl-pyrazole-3-carboxamide

Systemtic Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfanyl-pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfanyl-pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-(methylthio)-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-5-methylsulfanylpyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-6-(2-mesylphenyl)phenyl]-5-(methylthio)pyrazole-3-carboxamide Formula: C25H23FN4O3S2 MolecularWeight: 510.603523

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)CN

Isomeric SMILES

CSC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)CN

InChI

InChI=1S/C25H23FN4O3S2/c1-34-23-14-21(30(29-23)17-8-5-7-16(13-17)15-27)25(31)28-24-19(10-6-11-20(24)26)18-9-3-4-12-22(18)35(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)