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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(pyridin-4-ylmethylsulfanyl)ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-pyridylmethylsulfanyl)acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(pyridin-4-ylmethylthio)acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-pyridylmethylthio)acetamide Formula: C21H21FN6OS MolecularWeight: 424.494443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CSCC3=CC=NC=C3)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CSCC3=CC=NC=C3)C#N)N)F

InChI

InChI=1S/C21H21FN6OS/c22-16-3-5-17(6-4-16)28-21(24)18(12-23)19(27-28)2-1-9-26-20(29)14-30-13-15-7-10-25-11-8-15/h3-8,10-11H,1-2,9,13-14,24H2,(H,26,29)