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4-(4'-Methylphenyl)-4,5-dihydro-3-(2-oxo-2H-benzopyran-4-yl)-1,2,4-oxadiazol-5-thione
SpectraBase Compound ID ChjiPWD1j9p
InChI InChI=1S/C18H12N2O3S/c1-11-6-8-12(9-7-11)20-17(19-23-18(20)24)14-10-16(21)22-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey JJSJAMUPELDULG-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C18H12N2O3S
Exact Mass 336.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68AvKhbURDG
Name 4-(4'-Methylphenyl)-4,5-dihydro-3-(2-oxo-2H-benzopyran-4-yl)-1,2,4-oxadiazol-5-thione
Alternate Name(s) 4-(4'-Methylphenyl)-4,5-dihydro-3-(2-oxo-2H-[11 lbenzopyran-4-yl)1,2,4-oxadiazol-5-thione 4-(5-Thioxo-4-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazol-3-yl)-2H-chromen-2-one 4-[4-(4-methylphenyl)-5-sulfanylidene-1,2,4-oxadiazol-3-yl]-1-benzopyran-2-one 4-[4-(p-tolyl)-5-thioxo-1,2,4-oxadiazol-3-yl]chromen-2-one 4-[4-(4-methylphenyl)-5-sulfanylidene-1,2,4-oxadiazol-3-yl]chromen-2-one
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Formula C18H12N2O3S
InChI InChI=1S/C18H12N2O3S/c1-11-6-8-12(9-7-11)20-17(19-23-18(20)24)14-10-16(21)22-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey JJSJAMUPELDULG-UHFFFAOYSA-N
Molecular Weight 336.365 g/mol
SMILES C=1(N(C(=S)ON1)c1ccc(cc1)C)C=1c2c(cccc2)OC(C1)=O
SPLASH splash10-000l-0923000000-c7a76c4f6d9bcb107539
Source of Spectrum EMC-33-723-16b
Wiley ID 1734406