N-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzenesulfonamide CAS Name: N-[4-cyano-5-(cyanomethyl)-2-phenyl-3-pyrazolyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[4-cyano-5-(cyanomethyl)-2-phenylpyrazol-3-yl]-3-fluorobenzenesulfonamide Traditional Name: N-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzenesulfonamide Formula: C18H12FN5O2S MolecularWeight: 381.383583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)NS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)NS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H12FN5O2S/c19-13-5-4-8-15(11-13)27(25,26)23-18-16(12-21)17(9-10-20)22-24(18)14-6-2-1-3-7-14/h1-8,11,23H,9H2