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N-(2,2-Dicyano-1-thioxoethyl)-N-[(4-methylphenyl)sulfonyl]pentanethioamide
SpectraBase Compound ID KGiOUOlQOqI
InChI InChI=1S/C16H17N3O2S3/c1-3-4-5-15(22)19(16(23)13(10-17)11-18)24(20,21)14-8-6-12(2)7-9-14/h6-9,13H,3-5H2,1-2H3
InChIKey FGWPCGZEDIFVCS-UHFFFAOYSA-N
Mol Weight 379.51 g/mol
Molecular Formula C16H17N3O2S3
Exact Mass 379.04829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5dgsj0bV1P
Name N-(2,2-Dicyano-1-thioxoethyl)-N-[(4-methylphenyl)sulfonyl]pentanethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2S3
InChI InChI=1S/C16H17N3O2S3/c1-3-4-5-15(22)19(16(23)13(10-17)11-18)24(20,21)14-8-6-12(2)7-9-14/h6-9,13H,3-5H2,1-2H3
InChIKey FGWPCGZEDIFVCS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200600
Molecular Weight 379.511 g/mol
SMILES C(N(S(=O)(=O)c1ccc(cc1)C)C(=S)CCCC)(C(C#N)C#N)=S
SPLASH splash10-0a4i-7901000000-75c5878b00d6a2d40df5
Source of Spectrum H-96-2145-11a
Synonyms N-(2,2-dicyanoethanethioyl)-N-tosylpentanethioamide
Wiley ID 1784597