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S-methyl 5-[1-(4-cyanophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate
SpectraBase Compound ID 3THggtNe2EG
InChI InChI=1S/C24H23N3O3S/c1-15-12-19(13-21(23(15)29-3)24(28)31-4)20(18-10-8-17(14-25)9-11-18)6-5-7-22-27-26-16(2)30-22/h6,8-13H,5,7H2,1-4H3
InChIKey HIKJWXOTYYTOFH-UHFFFAOYSA-N
Mol Weight 433.53 g/mol
Molecular Formula C24H23N3O3S
Exact Mass 433.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IjCx80fnP9
Name S-methyl 5-[1-(4-cyanophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N3O3S
InChI InChI=1S/C24H23N3O3S/c1-15-12-19(13-21(23(15)29-3)24(28)31-4)20(18-10-8-17(14-25)9-11-18)6-5-7-22-27-26-16(2)30-22/h6,8-13H,5,7H2,1-4H3
InChIKey HIKJWXOTYYTOFH-UHFFFAOYSA-N
Molecular Weight 433.526 g/mol
SMILES C(CC=C(c1cc(c(c(c1)C)OC)C(SC)=O)c1ccc(cc1)C#N)c1oc(nn1)C
SPLASH splash10-000i-0009000000-02cf78ebd0cc802d12bb
Source of Spectrum RCM-22-1097-13
Synonyms S-methyl 5-(1-(4-cyanophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-en-1-yl)-2-methoxy-3-methylbenzothioate
Wiley ID 1814597