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

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-methylsulfanyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-methylsulfanyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-N-[2-(2-methylsulfonylphenyl)phenyl]-5-(methylthio)-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-methylsulfanyl-N-[2-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-N-[2-(2-mesylphenyl)phenyl]-5-(methylthio)pyrazole-3-carboxamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)CN

Isomeric SMILES

CSC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)CN

InChI

InChI=1S/C25H24N4O3S2/c1-33-24-15-22(29(28-24)18-9-7-8-17(14-18)16-26)25(30)27-21-12-5-3-10-19(21)20-11-4-6-13-23(20)34(2,31)32/h3-15H,16,26H2,1-2H3,(H,27,30)