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(E)-2-([2-(3,5-diamino-4H-pyrazol-4-ylidene]-4-phenyl-2,3-dihydrothiazol-5-yl)diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

View entire compound with spectra: 1 MS (GC)

(E)-2-([2-(3,5-diamino-4H-pyrazol-4-ylidene]-4-phenyl-2,3-dihydrothiazol-5-yl)diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID AskLrV0W3bk
InChI InChI=1S/C22H22N8OS2/c23-17-15(18(24)28-27-17)20-26-16(11-7-3-1-4-8-11)22(33-20)30-29-21-14(19(25)31)12-9-5-2-6-10-13(12)32-21/h1,3-4,7-8,26H,2,5-6,9-10H2,(H2,23,27)(H2,24,28)(H2,25,31)/b30-29+
InChIKey KMTOFIQRLPICMG-QVIHXGFCSA-N
Mol Weight 478.59 g/mol
Molecular Formula C22H22N8OS2
Exact Mass 478.1358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84rADHMa5Xz
Name (E)-2-([2-(3,5-diamino-4H-pyrazol-4-ylidene]-4-phenyl-2,3-dihydrothiazol-5-yl)diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N8OS2
InChI InChI=1S/C22H22N8OS2/c23-17-15(18(24)28-27-17)20-26-16(11-7-3-1-4-8-11)22(33-20)30-29-21-14(19(25)31)12-9-5-2-6-10-13(12)32-21/h1,3-4,7-8,26H,2,5-6,9-10H2,(H2,23,27)(H2,24,28)(H2,25,31)/b30-29+
InChIKey KMTOFIQRLPICMG-QVIHXGFCSA-N
Instrument Name QP-1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4041
Molecular Weight 478.593 g/mol
SMILES NC(c1c2CCCCCc2sc1\N=N\C=1SC(=C2C(=NN=C2N)N)NC1c1ccccc1)=O
SPLASH splash10-000i-0009000000-3bcf12081cd536f24939
Source of Spectrum Y-57-3218-12
Wiley ID 1860326