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N(1)-{4-[5'-(2"-Thienyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID 6faRZPVC72m
InChI InChI=1S/C23H20ClN3O3S/c1-14(28)27-20(22-4-3-11-31-22)13-19(26-27)15-5-8-17(9-6-15)25-23(29)18-12-16(24)7-10-21(18)30-2/h3-12,20H,13H2,1-2H3,(H,25,29)
InChIKey NDZKOWBPVDEPQS-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfREFygW4uf
Name N(1)-{4-[5'-(2"-Thienyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide
Alternate Name(s) N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-5-chloro-2-methoxybenzamide N-[4-[2-acetyl-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-chloro-2-methoxy-benzamide 5-chloranyl-N-[4-(2-ethanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-2-methoxy-benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-14(28)27-20(22-4-3-11-31-22)13-19(26-27)15-5-8-17(9-6-15)25-23(29)18-12-16(24)7-10-21(18)30-2/h3-12,20H,13H2,1-2H3,(H,25,29)
InChIKey NDZKOWBPVDEPQS-UHFFFAOYSA-N
Molecular Weight 453.944 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=NN(C(C2)c2sccc2)C(=O)C)cc1
SPLASH splash10-004i-0090200000-e8abdca95c6a8a0d41cc
Source of Spectrum AH-139-74-10
Wiley ID 1696008