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3-Chloro-N-(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one-4-yl)-2-thianaphthenecarboxamide
SpectraBase Compound ID G2UtuFCPJ6z
InChI InChI=1S/C20H16ClN3O2S/c1-12-17(20(26)24(23(12)2)13-8-4-3-5-9-13)22-19(25)18-16(21)14-10-6-7-11-15(14)27-18/h3-11H,1-2H3,(H,22,25)
InChIKey SINZCSXGLBEZBG-UHFFFAOYSA-N
Mol Weight 397.88 g/mol
Molecular Formula C20H16ClN3O2S
Exact Mass 397.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8snwJgF7OX
Name 3-Chloro-N-(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one-4-yl)-2-thianaphthenecarboxamide
CAS Registry Number 301157-28-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3O2S
InChI InChI=1S/C20H16ClN3O2S/c1-12-17(20(26)24(23(12)2)13-8-4-3-5-9-13)22-19(25)18-16(21)14-10-6-7-11-15(14)27-18/h3-11H,1-2H3,(H,22,25)
InChIKey SINZCSXGLBEZBG-UHFFFAOYSA-N
Molecular Weight 397.880 g/mol
SMILES N(C(c1c(c2c(cccc2)s1)Cl)=O)C=1C(N(c2ccccc2)N(C1C)C)=O
SPLASH splash10-0a4j-9613000000-6f381c4f6cc29037298a
Synonyms 3-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide 3-Chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzothiophene-2-carboxamide
Wiley ID 1470755