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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(diphenylmethyl)sulfanyl-ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-benzhydrylsulfanyl-acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-[(diphenylmethyl)thio]acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-benzhydrylsulfanylacetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(benzhydrylthio)acetamide Formula: C28H26FN5OS MolecularWeight: 499.602343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FN5OS/c29-22-13-15-23(16-14-22)34-28(31)24(18-30)25(33-34)12-7-17-32-26(35)19-36-27(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,27H,7,12,17,19,31H2,(H,32,35)