N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(p-tolylthio)acetamide Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN5OS/c1-15-4-10-18(11-5-15)30-14-21(29)26-12-2-3-20-19(13-24)22(25)28(27-20)17-8-6-16(23)7-9-17/h4-11H,2-3,12,14,25H2,1H3,(H,26,29)