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3-[2'-(Methylthio)-5'-methyl-3'-thienyl]-N-phenyl-2-isothiazoline-4,5-dicarboximide
SpectraBase Compound ID KOYiaGNL2Da
InChI InChI=1S/C17H14N2O2S3/c1-9-8-11(17(22-2)23-9)13-12-14(24-18-13)16(21)19(15(12)20)10-6-4-3-5-7-10/h3-8,12,14H,1-2H3
InChIKey QUASAVXRHHBPCS-UHFFFAOYSA-N
Mol Weight 374.49 g/mol
Molecular Formula C17H14N2O2S3
Exact Mass 374.021741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmKKnXLOu1f
Name 3-[2'-(Methylthio)-5'-methyl-3'-thienyl]-N-phenyl-2-isothiazoline-4,5-dicarboximide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O2S3
InChI InChI=1S/C17H14N2O2S3/c1-9-8-11(17(22-2)23-9)13-12-14(24-18-13)16(21)19(15(12)20)10-6-4-3-5-7-10/h3-8,12,14H,1-2H3
InChIKey QUASAVXRHHBPCS-UHFFFAOYSA-N
Molecular Weight 374.491 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccccc2)SN=C1c1c(sc(c1)C)SC
SPLASH splash10-00di-0913000000-0d35f7680182e2de717d
Source of Spectrum QF-41-1480-5
Synonyms 3-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-phenyl-3aH-pyrrolo[3,4-d]isothiazole-4,6(5H,6aH)-dione
Wiley ID 832903