2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[5-amino-3-ethylsulfanyl-4-(p-tolylsulfonyl)pyrazol-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[5-amino-3-(ethylthio)-4-(4-methylphenyl)sulfonyl-1-pyrazolyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[5-amino-3-(ethylthio)-4-tosyl-pyrazol-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S2/c1-3-29-20-18(30(27,28)16-10-4-13(2)5-11-16)19(22)25(24-20)12-17(26)23-15-8-6-14(21)7-9-15/h4-11H,3,12,22H2,1-2H3,(H,23,26)