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(1-benzyl-5-chloro-triazol-4-yl)-[4-(3-chloroanilino)-2,5-dihydrothiophen-3-yl]methanone

View entire compound with spectra: 2 MS (GC)

(1-benzyl-5-chloro-triazol-4-yl)-[4-(3-chloroanilino)-2,5-dihydrothiophen-3-yl]methanone
SpectraBase Compound ID CvyvHRtTKXF
InChI InChI=1S/C20H16Cl2N4OS/c21-14-7-4-8-15(9-14)23-17-12-28-11-16(17)19(27)18-20(22)26(25-24-18)10-13-5-2-1-3-6-13/h1-9,23H,10-12H2
InChIKey JWIAOFMTSCDJIW-UHFFFAOYSA-N
Mol Weight 431.34 g/mol
Molecular Formula C20H16Cl2N4OS
Exact Mass 430.042188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zyXCHxyVL8
Name (1-benzyl-5-chloro-triazol-4-yl)-[4-(3-chloroanilino)-2,5-dihydrothiophen-3-yl]methanone
CAS Registry Number 129609-40-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16Cl2N4OS
InChI InChI=1S/C20H16Cl2N4OS/c21-14-7-4-8-15(9-14)23-17-12-28-11-16(17)19(27)18-20(22)26(25-24-18)10-13-5-2-1-3-6-13/h1-9,23H,10-12H2
InChIKey JWIAOFMTSCDJIW-UHFFFAOYSA-N
Molecular Weight 431.341 g/mol
SMILES N(C1=C(C(c2c([n](Cc3ccccc3)nn2)Cl)=O)CSC1)c1cc(Cl)ccc1
SPLASH splash10-0006-9000200000-b936fedaad5b98312e16
Source of Spectrum Y-27-1141-14
Synonyms [4-(3-chloroanilino)-2,5-dihydrothiophen-3-yl]-[5-chloro-1-(phenylmethyl)-4-triazolyl]methanone [5-chloranyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-[4-[(3-chlorophenyl)amino]-2,5-dihydrothiophen-3-yl]methanone
Wiley ID 1381402