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5,5'-(Thiophene-2,5-diyl)bis[3-(thien-2-yl)-4H-1,2,6-thiadiazin-4-one]
SpectraBase Compound ID IUyVvXGSBfv
InChI InChI=1S/C18H8N4O2S5/c23-17-13(9-3-1-7-25-9)19-28-21-15(17)11-5-6-12(27-11)16-18(24)14(20-29-22-16)10-4-2-8-26-10/h1-8H
InChIKey JPIZVJZUYKCPMU-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C18H8N4O2S5
Exact Mass 471.925081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkRBkBRzAgP
Name 5,5'-(Thiophene-2,5-diyl)bis[3-(thien-2-yl)-4H-1,2,6-thiadiazin-4-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H8N4O2S5
InChI InChI=1S/C18H8N4O2S5/c23-17-13(9-3-1-7-25-9)19-28-21-15(17)11-5-6-12(27-11)16-18(24)14(20-29-22-16)10-4-2-8-26-10/h1-8H
InChIKey JPIZVJZUYKCPMU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2025235
Molecular Weight 472.588 g/mol
SMILES c1c(sc(C=2C(C(=NSN2)c2cccs2)=O)c1)C=1C(C(=NSN1)c1sccc1)=O
SPLASH splash10-00do-1901600000-04758880c12f7f57283d
Source of Spectrum A1-13-5886/SMS12-14a
Synonyms 5,5'-(thiophene-2,5-diyl)bis(3-(thiophen-2-yl)-4H-1,2,6-thiadiazin-4-one) 3-[5-(4-oxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)-2-thiophenyl]-5-thiophen-2-yl-1,2,6-thiadiazin-4-one 3-[5-(4-oxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)thiophen-2-yl]-5-thiophen-2-yl-1,2,6-thiadiazin-4-one 3-[5-[4-oxo-5-(2-thienyl)-1,2,6-thiadiazin-3-yl]-2-thienyl]-5-(2-thienyl)-1,2,6-thiadiazin-4-one 3-[5-(4-oxidanylidene-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)thiophen-2-yl]-5-thiophen-2-yl-1,2,6-thiadiazin-4-one
Wiley ID 1753899