2-[[4-(3,4-dichlorophenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid

SpectraBase Compound ID	6oZw8lFOYlK
InChI	InChI=1S/C21H15Cl2N3O2S/c22-17-9-8-15(11-18(17)23)26-19(24-25-21(26)29-12-20(27)28)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,27,28)
InChIKey	DXKVGRVXWHWMIQ-UHFFFAOYSA-N Google Search
Mol Weight	444.34 g/mol
Molecular Formula	C21H15Cl2N3O2S
Exact Mass	443.026203 g/mol

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SpectraBase Spectrum ID	DLkKFaXOU2e
Name	2-[[4-(3,4-dichlorophenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
CAS Registry Number	77052-92-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H15Cl2N3O2S
InChI	InChI=1S/C21H15Cl2N3O2S/c22-17-9-8-15(11-18(17)23)26-19(24-25-21(26)29-12-20(27)28)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,27,28)
InChIKey	DXKVGRVXWHWMIQ-UHFFFAOYSA-N
Molecular Weight	444.336 g/mol
SMILES	OC(CSc1[n](c(nn1)Cc1c2c(cccc2)ccc1)-c1cc(Cl)c(cc1)Cl)=O
SPLASH	splash10-00kf-0900500000-c40c6f7456d9c025212b
Source of Spectrum	Y-17-1371-5
Synonyms	2-[[4-(3,4-dichlorophenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(3,4-dichlorophenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID	1385690