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

Systemtic Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(2-methylsulfanylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(2-methylsulfanylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-(4-fluorophenyl)-3-methyl-1-[2-(methylthio)ethyl]-4-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(2-methylsulfanylethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-(4-fluorophenyl)-3-methyl-1-[2-(methylthio)ethyl]pyrazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2S/c1-13-20(15-5-8-18-17(11-15)23-19(26)12-27-18)21(25(24-13)9-10-28-2)14-3-6-16(22)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)