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

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[4-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[4-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3S/c1-34(32,33)24-8-3-2-7-22(24)18-9-11-19(12-10-18)28-25(31)23-14-20(16-27)29-30(23)21-6-4-5-17(13-21)15-26/h2-14H,15,26H2,1H3,(H,28,31)