6-tert-butyl-4-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[[3-[4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=NO3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=NO3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H23N3O3S/c1-22(2,3)15-7-10-18-17(11-15)25(20(26)13-27-18)12-19-23-21(24-28-19)14-5-8-16(29-4)9-6-14/h5-11H,12-13H2,1-4H3