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2-Amino-3-cyano-5-(5'-chloro-3'-methyl-1'-N-phenylpyrazol-4'-ylvinyl)-7,7-dimethyl-6,7-dihydrobenzo[b]thiophene
SpectraBase Compound ID KQJPlq3Ajzz
InChI InChI=1S/C23H21ClN4S/c1-14-17(21(24)28(27-14)16-7-5-4-6-8-16)10-9-15-11-18-19(13-25)22(26)29-20(18)23(2,3)12-15/h4-11H,12,26H2,1-3H3/b10-9-
InChIKey WRFQZSYQXKNWOE-KTKRTIGZSA-N
Mol Weight 420.96 g/mol
Molecular Formula C23H21ClN4S
Exact Mass 420.117546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B06rzZSitE0
Name 2-Amino-3-cyano-5-(5'-chloro-3'-methyl-1'-N-phenylpyrazol-4'-ylvinyl)-7,7-dimethyl-6,7-dihydrobenzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21ClN4S
InChI InChI=1S/C23H21ClN4S/c1-14-17(21(24)28(27-14)16-7-5-4-6-8-16)10-9-15-11-18-19(13-25)22(26)29-20(18)23(2,3)12-15/h4-11H,12,26H2,1-3H3/b10-9-
InChIKey WRFQZSYQXKNWOE-KTKRTIGZSA-N
Molecular Weight 420.962 g/mol
SMILES Nc1c(c2c(s1)C(C)(C)CC(=C2)\C=C/c1c([n](-c2ccccc2)nc1C)Cl)C#N
SPLASH splash10-0adm-3907300000-b213977325b06d0c8fc7
Source of Spectrum Y1-42-634-2
Synonyms 2-Amino-5-[(Z)-2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethenyl]-7,7-dimethyl-6,7-dihydro-1-benzothiophene-3-carbonitrile
Wiley ID 1565167