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anti-2-[2-{1-(2-Methyl-4,5-diphenyl-1H-pyrrol-3-yl)ethylidene}hydrazino]-4-amino-6-(4-chlorophenyl)-6H-1,3-thiazine-5-carbothioamide

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anti-2-[2-{1-(2-Methyl-4,5-diphenyl-1H-pyrrol-3-yl)ethylidene}hydrazino]-4-amino-6-(4-chlorophenyl)-6H-1,3-thiazine-5-carbothioamide
SpectraBase Compound ID A8FXbfReVkp
InChI InChI=1S/C30H27ClN6S2/c1-17-23(24(19-9-5-3-6-10-19)26(34-17)20-11-7-4-8-12-20)18(2)36-37-30-35-28(32)25(29(33)38)27(39-30)21-13-15-22(31)16-14-21/h3-16,27,34H,32H2,1-2H3,(H2,33,38)(H,35,37)/b36-18+
InChIKey KVHMEXMDUPDPNU-IZYHBKOJSA-N
Mol Weight 571.16 g/mol
Molecular Formula C30H27ClN6S2
Exact Mass 570.142715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5W6g7Vs77Cp
Name anti-2-[2-{1-(2-Methyl-4,5-diphenyl-1H-pyrrol-3-yl)ethylidene}hydrazino]-4-amino-6-(4-chlorophenyl)-6H-1,3-thiazine-5-carbothioamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H27ClN6S2
InChI InChI=1S/C30H27ClN6S2/c1-17-23(24(19-9-5-3-6-10-19)26(34-17)20-11-7-4-8-12-20)18(2)36-37-30-35-28(32)25(29(33)38)27(39-30)21-13-15-22(31)16-14-21/h3-16,27,34H,32H2,1-2H3,(H2,33,38)(H,35,37)/b36-18+
InChIKey KVHMEXMDUPDPNU-IZYHBKOJSA-N
Literature Reference DOI 10.3987/COM-15-13210
Molecular Weight 571.161 g/mol
SMILES NC=1N=C(SC(C1C(N)=S)c1ccc(cc1)Cl)N\N=C\(c1c([nH]c(c1-c1ccccc1)-c1ccccc1)C)C
SPLASH splash10-0200-9601070000-805725204c3b754d657f
Source of Spectrum H1-91-1241-9i
Synonyms (E)-4-amino-6-(4-chlorophenyl)-2-(2-(1-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)ethylidene)hydrazineyl)-6H-1,3-thiazine-5-carbothioamide
Wiley ID 1804073