3-([5-(4-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl)propanoic acid

SpectraBase Compound ID	2gig5kwIxaG
InChI	InChI=1S/C13H15N3O3S/c1-16-12(9-3-5-10(19-2)6-4-9)14-15-13(16)20-8-7-11(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKey	HJCBJCBPJZMNPT-UHFFFAOYSA-N Google Search
Mol Weight	293.34 g/mol
Molecular Formula	C13H15N3O3S
Exact Mass	293.083413 g/mol

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SpectraBase Spectrum ID	B1YqrJteXMO
Name	3-([5-(4-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl)propanoic acid
Alternate Name(s)	3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Propanoic acid, 3-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio-
CAS Registry Number	346638-19-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H15N3O3S
InChI	InChI=1S/C13H15N3O3S/c1-16-12(9-3-5-10(19-2)6-4-9)14-15-13(16)20-8-7-11(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKey	HJCBJCBPJZMNPT-UHFFFAOYSA-N
Molecular Weight	293.341 g/mol
SMILES	OC(=O)CCSc1[n](c(nn1)-c1ccc(cc1)OC)C
SPLASH	splash10-00di-9450000000-e2d74e42e86b6643cfd0
Source of Spectrum	AD-0-2532-0
Wiley ID	1430802