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2-Allylsulfanyl-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one
SpectraBase Compound ID IX6bBZX2bZu
InChI InChI=1S/C12H9N3OS2/c1-2-7-17-12-14-15-10(16)8-5-3-4-6-9(8)13-11(15)18-12/h2-6H,1,7H2
InChIKey JVMACGIFNFEHBA-UHFFFAOYSA-N
Mol Weight 275.34 g/mol
Molecular Formula C12H9N3OS2
Exact Mass 275.018704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBfuEKsG03y
Name 2-Allylsulfanyl-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one
Alternate Name(s) 2-(Allylsulfanyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(allylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(prop-2-enylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-Allylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-Prop-2-enylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
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Formula C12H9N3OS2
InChI InChI=1S/C12H9N3OS2/c1-2-7-17-12-14-15-10(16)8-5-3-4-6-9(8)13-11(15)18-12/h2-6H,1,7H2
InChIKey JVMACGIFNFEHBA-UHFFFAOYSA-N
Molecular Weight 275.344 g/mol
SMILES c1ccc2C(N3C(SC(=N3)SCC=C)=Nc2c1)=O
SPLASH splash10-002p-9510000000-179fbe538c680d9e0bee
Wiley ID 1458286