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3-Phenyl-2-trifluoromethylsulfanyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 2XzuiNWsSro
InChI InChI=1S/C17H13F3N2OS2/c18-17(19,20)25-16-21-14-13(11-8-4-5-9-12(11)24-14)15(23)22(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey XKACHOJNNTWZOY-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C17H13F3N2OS2
Exact Mass 382.04214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ka6vSGwADaj
Name 3-Phenyl-2-trifluoromethylsulfanyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F3N2OS2
InChI InChI=1S/C17H13F3N2OS2/c18-17(19,20)25-16-21-14-13(11-8-4-5-9-12(11)24-14)15(23)22(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey XKACHOJNNTWZOY-UHFFFAOYSA-N
Molecular Weight 382.419 g/mol
SMILES C1Cc2sc3N=C(N(C(c3c2CC1)=O)c1ccccc1)SC(F)(F)F
SPLASH splash10-003r-9321000000-7e5a3830c89a4435798e
Synonyms 3-Phenyl-2-[(trifluoromethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1453291