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3-((5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)hydrazono)indolin-2-one
SpectraBase Compound ID 4uWI4lKjcFX
InChI InChI=1S/C18H12ClN5O2S/c1-10(25)17-23-24(12-6-4-5-11(19)9-12)18(27-17)22-21-15-13-7-2-3-8-14(13)20-16(15)26/h2-9H,1H3,(H,20,21,26)
InChIKey YLLNOPSMCMPCBB-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C18H12ClN5O2S
Exact Mass 397.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zxdVjVT7En
Name 3-((5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)hydrazono)indolin-2-one
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN5O2S
InChI InChI=1S/C18H12ClN5O2S/c1-10(25)17-23-24(12-6-4-5-11(19)9-12)18(27-17)22-21-15-13-7-2-3-8-14(13)20-16(15)26/h2-9H,1H3,(H,20,21,26)
InChIKey YLLNOPSMCMPCBB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX or HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2731
Molecular Weight 397.840 g/mol
SMILES N1C(C(c2ccccc12)=NN=C1N(c2cc(ccc2)Cl)N=C(C(C)=O)S1)=O
SPLASH splash10-0fc0-4910000000-c271fccdd287fe7fd528
Source of Spectrum Y-54-1455-12e
Wiley ID 1878222