N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methylsulfonyl-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methylsulfonylbenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-mesyl-benzamide Formula: C21H20FN5O3S MolecularWeight: 441.478603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O3S/c1-31(29,30)17-10-4-14(5-11-17)21(28)25-12-2-3-19-18(13-23)20(24)27(26-19)16-8-6-15(22)7-9-16/h4-11H,2-3,12,24H2,1H3,(H,25,28)