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4-Thiazolone, 5-[[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylidene]dihydro-3-(3-pyridinylmethyl)-2-thioxo-
SpectraBase Compound ID 4gx0m8OY7SN
InChI InChI=1S/C21H18N4OS2/c1-14-9-17(15(2)25(14)18-6-4-8-23-12-18)10-19-20(26)24(21(27)28-19)13-16-5-3-7-22-11-16/h3-12H,13H2,1-2H3/b19-10-
InChIKey ABPKAULRVBQTGX-GRSHGNNSSA-N
Mol Weight 406.52 g/mol
Molecular Formula C21H18N4OS2
Exact Mass 406.092204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASEuxC9ggOX
Name 4-Thiazolone, 5-[[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylidene]dihydro-3-(3-pyridinylmethyl)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4OS2
InChI InChI=1S/C21H18N4OS2/c1-14-9-17(15(2)25(14)18-6-4-8-23-12-18)10-19-20(26)24(21(27)28-19)13-16-5-3-7-22-11-16/h3-12H,13H2,1-2H3/b19-10-
InChIKey ABPKAULRVBQTGX-GRSHGNNSSA-N
Molecular Weight 406.522 g/mol
SMILES c1cncc(-[n]2c(c(\C=C\3C(N(C(S3)=S)Cc3cnccc3)=O)cc2C)C)c1
SPLASH splash10-004i-1290100000-61ed2ed86283412e4776
Source of Spectrum IY-1-4541-0
Synonyms (5Z)-5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-3-(3-pyridinylmethyl)-2-sulfanylidene-4-thiazolidinone (5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (5Z)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Wiley ID 1653393