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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenyl-2-phenylsulfanyl-acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-phenyl-2-(phenylthio)acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenyl-2-phenylsulfanylacetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-phenyl-2-(phenylthio)acetamide Formula: C27H24FN5OS MolecularWeight: 485.575763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)SC4=CC=CC=C4

InChI

InChI=1S/C27H24FN5OS/c28-20-13-15-21(16-14-20)33-26(30)23(18-29)24(32-33)12-7-17-31-27(34)25(19-8-3-1-4-9-19)35-22-10-5-2-6-11-22/h1-6,8-11,13-16,25H,7,12,17,30H2,(H,31,34)