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2-(4-Methylsulfanylphenoxy)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

2-(4-Methylsulfanylphenoxy)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 9TV36BxVBFj
InChI InChI=1S/C23H20N2O2S2/c1-28-17-13-11-16(12-14-17)27-23-24-21-20(18-9-5-6-10-19(18)29-21)22(26)25(23)15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKey VTXVPEBUJOEVRD-UHFFFAOYSA-N
Mol Weight 420.55 g/mol
Molecular Formula C23H20N2O2S2
Exact Mass 420.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhiPJ83quv7
Name 2-(4-Methylsulfanylphenoxy)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O2S2
InChI InChI=1S/C23H20N2O2S2/c1-28-17-13-11-16(12-14-17)27-23-24-21-20(18-9-5-6-10-19(18)29-21)22(26)25(23)15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKey VTXVPEBUJOEVRD-UHFFFAOYSA-N
Molecular Weight 420.545 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)Oc2ccc(cc2)SC)sc2c1CCCC2
SPLASH splash10-0uk9-2093700000-11dd4b2e6ff71e24d876
Source of Spectrum C5-2004-78-6
Synonyms 2-(4-Methylsulfanylphenoxy)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[4-(methylthio)phenoxy]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[4-(methylthio)phenoxy]-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
Wiley ID 1616352