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4,5,6,7-Tetrahydro-2-(2,6-diphenyl-4-thioxo-2H-1,3,5-oxadiazin-3(4H)-yl)benzo[b]thiophene-3-carbonitrile
SpectraBase Compound ID CNUdc5426q0
InChI InChI=1S/C24H19N3OS2/c25-15-19-18-13-7-8-14-20(18)30-23(19)27-22(17-11-5-2-6-12-17)28-21(26-24(27)29)16-9-3-1-4-10-16/h1-6,9-12,22H,7-8,13-14H2
InChIKey YVMUQBKDBUGJMG-UHFFFAOYSA-N
Mol Weight 429.56 g/mol
Molecular Formula C24H19N3OS2
Exact Mass 429.096955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fYAHGwVFU8
Name 4,5,6,7-Tetrahydro-2-(2,6-diphenyl-4-thioxo-2H-1,3,5-oxadiazin-3(4H)-yl)benzo[b]thiophene-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H19N3OS2
InChI InChI=1S/C24H19N3OS2/c25-15-19-18-13-7-8-14-20(18)30-23(19)27-22(17-11-5-2-6-12-17)28-21(26-24(27)29)16-9-3-1-4-10-16/h1-6,9-12,22H,7-8,13-14H2
InChIKey YVMUQBKDBUGJMG-UHFFFAOYSA-N
Molecular Weight 429.556 g/mol
SMILES c1(N2C(N=C(OC2c2ccccc2)c2ccccc2)=S)c(c2CCCCc2s1)C#N
SPLASH splash10-014i-0090300000-d5a34f49a6c247aa12dd
Source of Spectrum F2-45-5940-17
Synonyms 2-(2,6-diphenyl-4-sulfanylidene-2H-1,3,5-oxadiazin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Wiley ID 1703359