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5-Amino-3-benzylsulfanyl-1-(4-chloro-phenyl)-1H-pyrazole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

5-Amino-3-benzylsulfanyl-1-(4-chloro-phenyl)-1H-pyrazole-4-carboxylic acid methyl ester
SpectraBase Compound ID 6ov0IEIPRC1
InChI InChI=1S/C18H16ClN3O2S/c1-24-18(23)15-16(20)22(14-9-7-13(19)8-10-14)21-17(15)25-11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3
InChIKey OTUMLURGJBJYOD-UHFFFAOYSA-N
Mol Weight 373.86 g/mol
Molecular Formula C18H16ClN3O2S
Exact Mass 373.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgtJCeyYcP8
Name 5-Amino-3-benzylsulfanyl-1-(4-chloro-phenyl)-1H-pyrazole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClN3O2S
InChI InChI=1S/C18H16ClN3O2S/c1-24-18(23)15-16(20)22(14-9-7-13(19)8-10-14)21-17(15)25-11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3
InChIKey OTUMLURGJBJYOD-UHFFFAOYSA-N
Molecular Weight 373.858 g/mol
SMILES Nc1c(C(=O)OC)c(SCc2ccccc2)n[n]1-c1ccc(Cl)cc1
SPLASH splash10-0006-9314000000-d30d2351d74f21255dce
Synonyms 5-Amino-1-(4-chlorophenyl)-3-(phenylmethylthio)-4-pyrazolecarboxylic acid methyl ester 5-Amino-3-(benzylthio)-1-(4-chlorophenyl)pyrazole-4-carboxylic acid methyl ester Methyl 5-amino-3-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Methyl 5-amino-3-benzylsulfanyl-1-(4-chlorophenyl)pyrazole-4-carboxylate Methyl 5-azanyl-1-(4-chlorophenyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate
Wiley ID 1463085