6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)-4-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-(4-fluorophenyl)-1-(2-methylsulfinylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCN1C(=C(C=N1)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)CCN1C(=C(C=N1)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O3S/c1-28(26)9-8-24-20(13-2-5-15(21)6-3-13)16(11-22-24)14-4-7-18-17(10-14)23-19(25)12-27-18/h2-7,10-11H,8-9,12H2,1H3,(H,23,25)