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N-(4-[(4-([(E)-2-Pyridinyl(sulfanyl)methylidene]amino)phenyl)sulfonyl]phenyl)-2-pyridinecarbimidothioic acid
SpectraBase Compound ID AqirFllWtTN
InChI InChI=1S/C24H18N4O2S3/c29-33(30,19-11-7-17(8-12-19)27-23(31)21-5-1-3-15-25-21)20-13-9-18(10-14-20)28-24(32)22-6-2-4-16-26-22/h1-16H,(H,27,31)(H,28,32)
InChIKey QCTSPRMXPQWMRU-UHFFFAOYSA-N
Mol Weight 490.61 g/mol
Molecular Formula C24H18N4O2S3
Exact Mass 490.059189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ov5k1krJvA
Name N-(4-[(4-([(E)-2-Pyridinyl(sulfanyl)methylidene]amino)phenyl)sulfonyl]phenyl)-2-pyridinecarbimidothioic acid
CAS Registry Number 111666-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4O2S3
InChI InChI=1S/C24H18N4O2S3/c29-33(30,19-11-7-17(8-12-19)27-23(31)21-5-1-3-15-25-21)20-13-9-18(10-14-20)28-24(32)22-6-2-4-16-26-22/h1-16H,(H,27,31)(H,28,32)
InChIKey QCTSPRMXPQWMRU-UHFFFAOYSA-N
Molecular Weight 490.614 g/mol
SMILES S\C(=N/c1ccc(S(c2ccc(\N=C/(S)c3ccccn3)cc2)(=O)=O)cc1)c1ccccn1
SPLASH splash10-002f-9100000000-566d1e407dfb5585d345
Synonyms N-[4-[4-(pyridin-2-ylcarbothioylamino)phenyl]sulfonylphenyl]pyridine-2-carbothioamide N-[4-[4-(pyridine-2-carbothioylamino)phenyl]sulfonylphenyl]pyridine-2-carbothioamide N-[4-[4-(pyridine-2-carbothioylamino)phenyl]sulfonylphenyl]thiopicolinamide N-[4-[4-[[2-pyridinyl(sulfanylidene)methyl]amino]phenyl]sulfonylphenyl]-2-pyridinecarbothioamide
Wiley ID 1468453