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(E)-2-(2-[dicyanomethylene]-4-phenyl-2,3-dihydrothiazol-5-yl)diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID ArOV7zUdUtF
InChI InChI=1S/C22H18N6OS2/c23-11-14(12-24)20-26-18(13-7-3-1-4-8-13)22(31-20)28-27-21-17(19(25)29)15-9-5-2-6-10-16(15)30-21/h1,3-4,7-8,26H,2,5-6,9-10H2,(H2,25,29)/b28-27+
InChIKey IRSVSLPINMQYHJ-BYYHNAKLSA-N
Mol Weight 446.55 g/mol
Molecular Formula C22H18N6OS2
Exact Mass 446.098352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQwi6jch5oY
Name (E)-2-(2-[dicyanomethylene]-4-phenyl-2,3-dihydrothiazol-5-yl)diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance Green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N6OS2
InChI InChI=1S/C22H18N6OS2/c23-11-14(12-24)20-26-18(13-7-3-1-4-8-13)22(31-20)28-27-21-17(19(25)29)15-9-5-2-6-10-16(15)30-21/h1,3-4,7-8,26H,2,5-6,9-10H2,(H2,25,29)/b28-27+
InChIKey IRSVSLPINMQYHJ-BYYHNAKLSA-N
Instrument Name QP-1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4041
Molecular Weight 446.547 g/mol
SMILES NC(c1c2CCCCCc2sc1\N=N\C=1SC(NC1c1ccccc1)=C(C#N)C#N)=O
SPLASH splash10-0006-9000000000-0c96358a317edaa3a3c8
Source of Spectrum Y-57-3218-10
Wiley ID 1860325