N-[1-[2-fluoranyl-4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: N-[1-[2-fluoranyl-4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-1H-pyrazole-4-carboxamide Openeye Name: N-[1-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]-2-oxo-3-piperidyl]-1H-pyrazole-4-carboxamide CAS Name: N-[1-[2-fluoro-4-[2-(methylthio)phenyl]phenyl]-2-oxo-3-piperidinyl]-1H-pyrazole-4-carboxamide IUPAC Name: N-[1-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]-2-oxopiperidin-3-yl]-1H-pyrazole-4-carboxamide Traditional Name: N-[1-[2-fluoro-4-[2-(methylthio)phenyl]phenyl]-2-keto-3-piperidyl]-1H-pyrazole-4-carboxamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NC(=O)C4=CNN=C4)F

Isomeric SMILES

CSC1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NC(=O)C4=CNN=C4)F

InChI

InChI=1S/C22H21FN4O2S/c1-30-20-7-3-2-5-16(20)14-8-9-19(17(23)11-14)27-10-4-6-18(22(27)29)26-21(28)15-12-24-25-13-15/h2-3,5,7-9,11-13,18H,4,6,10H2,1H3,(H,24,25)(H,26,28)