1-[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-2-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-ethanone

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Systematic / IUPAC Name: 1-[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-2-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone

ID: Reference6474

Other Names: 1-[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone;
Methyl 4-[2-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenyl ether

Formula: C27H23N5O3S

Spectral Data

1-[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-2-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-ethanone 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2017 11:38:52 AM
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Identificators

InChI InChI=1S/C27H23N5O3S/c1-34-20-9-6-18(7-10-20)25-22-11-8-17-4-2-3-5-21(17)24(22)31-32(25)23(33)16-36-27-30-29-26(35-27)19-12-14-28-15-13-19/h2-7,9-10,12-15,22,25H,8,11,16H2,1H3
InChI Key JCKARJAQGQLGBD-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2C(=O)CSC5=NN=C(O5)C6=CC=NC=C6
CAS
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Other Names 1-[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone;
Methyl 4-[2-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenyl ether

In Other Databases

PubChem 2816512
ChemSpider 2094851