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1-[(Z)-[2-[4-(4-chlorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea

View entire compound with spectra: 1 MS (GC)

1-[(Z)-[2-[4-(4-chlorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea
SpectraBase Compound ID CIOcxuebevJ
InChI InChI=1S/C14H14ClN7O2S2/c15-7-1-3-8(4-2-7)21-14(26)22(20-19-21)10-5-9(17-18-13(16)25)12-23-6-11(10)24-12/h1-4,10-12H,5-6H2,(H3,16,18,25)/b17-9-
InChIKey JNFLYALPOZPRFZ-MFOYZWKCSA-N
Mol Weight 411.89 g/mol
Molecular Formula C14H14ClN7O2S2
Exact Mass 411.033893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qeJmFJVkQD
Name 1-[(Z)-[2-[4-(4-chlorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea
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Formula C14H14ClN7O2S2
InChI InChI=1S/C14H14ClN7O2S2/c15-7-1-3-8(4-2-7)21-14(26)22(20-19-21)10-5-9(17-18-13(16)25)12-23-6-11(10)24-12/h1-4,10-12H,5-6H2,(H3,16,18,25)/b17-9-
InChIKey JNFLYALPOZPRFZ-MFOYZWKCSA-N
Molecular Weight 411.886 g/mol
SMILES N(\N=C/1C2OC(C(C1)N1C(N(N=N1)c1ccc(cc1)Cl)=S)CO2)C(=S)N
SPLASH splash10-0udi-7910000000-bc1814d3502f5feda0d8
Synonyms [(Z)-[2-[4-(4-chlorophenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea [(Z)-[2-[4-(4-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea [(Z)-[2-[4-(4-chlorophenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea
Wiley ID 1512400