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N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
SpectraBase Compound ID 147FRk54nKm
InChI InChI=1S/C16H16ClF2N3O3S/c1-2-3-11-8-13(23)22-15(21-11)26-9-14(24)20-10-4-6-12(7-5-10)25-16(17,18)19/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKey BVVBTLBMCQSHDJ-UHFFFAOYSA-N
Mol Weight 403.83 g/mol
Molecular Formula C16H16ClF2N3O3S
Exact Mass 403.056897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzjzxh7SeIQ
Name N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClF2N3O3S
InChI InChI=1S/C16H16ClF2N3O3S/c1-2-3-11-8-13(23)22-15(21-11)26-9-14(24)20-10-4-6-12(7-5-10)25-16(17,18)19/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKey BVVBTLBMCQSHDJ-UHFFFAOYSA-N
Molecular Weight 403.832 g/mol
SMILES N(C(CSc1nc(cc(n1)CCC)O)=O)c1ccc(OC(Cl)(F)F)cc1
SPLASH splash10-03di-9650000000-5b0eed8cc2b3f06f343d
Synonyms N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
Wiley ID 1457882