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(E)-[1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-ylidene]-methoxy-amine

View entire compound with spectra: 1 MS (GC)

(E)-[1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-ylidene]-methoxy-amine
SpectraBase Compound ID DVHXbQ5se9J
InChI InChI=1S/C21H22ClN3O3S3/c1-21(2)11-13-18(16(12-21)24-28-3)20(29-4)30-19(13)15-9-10-25(23-15)31(26,27)17-8-6-5-7-14(17)22/h5-10H,11-12H2,1-4H3/b24-16+
InChIKey GOYLRIBAFOZAHM-LFVJCYFKSA-N
Mol Weight 496.06 g/mol
Molecular Formula C21H22ClN3O3S3
Exact Mass 495.051183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99yxTmAW7wb
Name (E)-[1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-ylidene]-methoxy-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3O3S3
InChI InChI=1S/C21H22ClN3O3S3/c1-21(2)11-13-18(16(12-21)24-28-3)20(29-4)30-19(13)15-9-10-25(23-15)31(26,27)17-8-6-5-7-14(17)22/h5-10H,11-12H2,1-4H3/b24-16+
InChIKey GOYLRIBAFOZAHM-LFVJCYFKSA-N
Molecular Weight 496.058 g/mol
SMILES c1ccc(S([n]2nc(-c3c4c(\C(=N\OC)CC(C4)(C)C)c(s3)SC)cc2)(=O)=O)c(Cl)c1
SPLASH splash10-006t-2491500000-06762a9ea1ee44b25e69
Synonyms 1-[1-(2-chlorophenyl)sulfonyl-3-pyrazolyl]-N-methoxy-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-imine 1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-N-methoxy-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-imine (E)-1-[1-(2-chlorophenyl)sulfonyl-3-pyrazolyl]-N-methoxy-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-imine
Wiley ID 1446651