1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamothioyl]-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-D-glucitol

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Systematic / IUPAC Name: O-[[(3S,3aR,6R,6aS)-3-[5-(Furan-2-ylmethylsulfanyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]] N-(3-cyanophenyl)carbamothioate

ID: Reference12461

Other Names: D-Glucitol, 1,4:3,6-dianhydro-5-O-[[(3-cyanophenyl)amino]thioxomethyl]-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-;
NAT6-296048

Formula: C20H18N6O4S2

Spectral Data

1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamothioyl]-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 318
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2023 1:21:00 PM
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Identificators

InChI InChI=1S/C20H18N6O4S2/c21-8-12-3-1-4-13(7-12)22-20(31)30-16-10-29-17-15(9-28-18(16)17)26-19(23-24-25-26)32-11-14-5-2-6-27-14/h1-7,15-18H,9-11H2,(H,22,31)/t15-,16+,17+,18+/m0/s1
InChI Key PHLPXECMRLZPJD-BSDSXHPESA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=S)NC3=CC=CC(=C3)C#N)N4C(=NN=N4)SCC5=CC=CO5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-5-O-[[(3-cyanophenyl)amino]thioxomethyl]-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-;
NAT6-296048

In Other Databases

ChemSpider 10053870
PubChem 11879542