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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C22H21FN6O3S MolecularWeight: 468.503943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN6O3S/c1-14(33-18-10-8-17(9-11-18)29(31)32)22(30)26-12-2-3-20-19(13-24)21(25)28(27-20)16-6-4-15(23)5-7-16/h4-11,14H,2-3,12,25H2,1H3,(H,26,30)