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 Google Search
Mol Weight	374.49 g/mol
Molecular Formula	C17H14N2O2S3
Exact Mass	374.021741 g/mol

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SpectraBase Spectrum ID	FmKKnXLOu1f
Name	3-[2'-(Methylthio)-5'-methyl-3'-thienyl]-N-phenyl-2-isothiazoline-4,5-dicarboximide
Alternate Name(s)	3-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-phenyl-3aH-pyrrolo[3,4-d]isothiazole-4,6(5H,6aH)-dione
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
Wiley ID	832903