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

Systemtic Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-3-methyl-1-[3-(methylthio)propyl]-4-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-(4-fluorophenyl)-3-methyl-1-[3-(methylthio)propyl]pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCCSC

Isomeric SMILES

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCCSC

InChI

InChI=1S/C22H22FN3O2S/c1-14-21(16-6-9-19-18(12-16)24-20(27)13-28-19)22(15-4-7-17(23)8-5-15)26(25-14)10-3-11-29-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,27)