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2-(2-Oxo-2-phenyl-ethylsulfanyl)-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one
SpectraBase Compound ID 5ceXxLl1HEq
InChI InChI=1S/C17H11N3O2S2/c21-14(11-6-2-1-3-7-11)10-23-17-19-20-15(22)12-8-4-5-9-13(12)18-16(20)24-17/h1-9H,10H2
InChIKey NBFPNOJPVNMDBZ-UHFFFAOYSA-N
Mol Weight 353.41 g/mol
Molecular Formula C17H11N3O2S2
Exact Mass 353.029269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFUtaYqAAWe
Name 2-(2-Oxo-2-phenyl-ethylsulfanyl)-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11N3O2S2
InChI InChI=1S/C17H11N3O2S2/c21-14(11-6-2-1-3-7-11)10-23-17-19-20-15(22)12-8-4-5-9-13(12)18-16(20)24-17/h1-9H,10H2
InChIKey NBFPNOJPVNMDBZ-UHFFFAOYSA-N
Molecular Weight 353.414 g/mol
SMILES c1ccc(C(CSC2=NN3C(S2)=Nc2c(C3=O)cccc2)=O)cc1
SPLASH splash10-0a4i-5900000000-1f2cb5163f5e6681d8a3
Synonyms 2-(Phenacylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-Phenacylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Wiley ID 1463284