4-Methyl-2-(ethylthio)-5(4H)-oxopyrido[3,2-f]-(1,4)-thiazepine-3-carbonitrile

SpectraBase Compound ID	DoBA1Isai4
InChI	InChI=1S/C12H11N3OS2/c1-3-17-12-9(7-13)15(2)11(16)8-5-4-6-14-10(8)18-12/h4-6H,3H2,1-2H3
InChIKey	UEOOVASXGXRUMD-UHFFFAOYSA-N Google Search
Mol Weight	277.36 g/mol
Molecular Formula	C12H11N3OS2
Exact Mass	277.034354 g/mol

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SpectraBase Spectrum ID	1YM1fRHQLTq
Name	4-Methyl-2-(ethylthio)-5(4H)-oxopyrido[3,2-f]-(1,4)-thiazepine-3-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H11N3OS2
InChI	InChI=1S/C12H11N3OS2/c1-3-17-12-9(7-13)15(2)11(16)8-5-4-6-14-10(8)18-12/h4-6H,3H2,1-2H3
InChIKey	UEOOVASXGXRUMD-UHFFFAOYSA-N
Molecular Weight	277.360 g/mol
SMILES	C=1(N(C(c2cccnc2SC1SCC)=O)C)C#N
SPLASH	splash10-014i-3290000000-10d6de94da331eea1337
Source of Spectrum	U1-1998-1240-3
Synonyms	2-(ethylsulfanyl)-4-methyl-5-oxo-4,5-dihydropyrido[3,2-f][1,4]thiazepine-3-carbonitrile 2-(ethylthio)-4-methyl-5-oxo-3-pyrido[3,2-f][1,4]thiazepinecarbonitrile 2-Ethylsulfanyl-4-methyl-5-oxopyrido[3,2-f][1,4]thiazepine-3-carbonitrile 2-Ethylsulfanyl-4-methyl-5-oxo-pyrido[3,2-f][1,4]thiazepine-3-carbonitrile 2-Ethylsulfanyl-4-methyl-5-oxidanylidene-pyrido[3,2-f][1,4]thiazepine-3-carbonitrile
Wiley ID	751320