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2-(3-benzyl-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

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2-(3-benzyl-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 1kTGbDDgxno
InChI InChI=1S/C20H18N4O3S/c25-16-11-15(17-12-26-18(16)27-17)24-20(28)23(14-9-5-2-6-10-14)19(22-24)21-13-7-3-1-4-8-13/h1-10,15,17-18H,11-12H2,(H,21,22)/t15-,17+,18+/m0/s1
InChIKey VETSUJWTOQSCMW-CGTJXYLNSA-N
Mol Weight 394.45 g/mol
Molecular Formula C20H18N4O3S
Exact Mass 394.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Xgje1y0Cqg
Name 2-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Alternate Name(s) 2-(3-anilino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one 2-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O3S
InChI InChI=1S/C20H18N4O3S/c25-16-11-15(17-12-26-18(16)27-17)24-20(28)23(14-9-5-2-6-10-14)19(22-24)21-13-7-3-1-4-8-13/h1-10,15,17-18H,11-12H2,(H,21,22)/t15-,17+,18+/m0/s1
InChIKey VETSUJWTOQSCMW-CGTJXYLNSA-N
Molecular Weight 394.449 g/mol
SMILES N(C1=NN(C(N1c1ccccc1)=S)[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H])c1ccccc1
SPLASH splash10-016u-9331000000-0410d68d6914f0b1c0eb
Wiley ID 1453590