2-[(1-mesityltetrazol-5-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide

SpectraBase Compound ID	531rkizHeFd
InChI	InChI=1S/C19H18F3N5O2S/c1-11-8-12(2)17(13(3)9-11)27-18(24-25-26-27)30-10-16(28)23-14-4-6-15(7-5-14)29-19(20,21)22/h4-9H,10H2,1-3H3,(H,23,28)
InChIKey	SZPJIMIRLPRJTM-UHFFFAOYSA-N Google Search
Mol Weight	437.44 g/mol
Molecular Formula	C19H18F3N5O2S
Exact Mass	437.113331 g/mol

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SpectraBase Spectrum ID	EP4nJNDgr3z
Name	2-[(1-Mesityltetrazol-5-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	437.113330501 u
Formula	C19H18F3N5O2S
InChI	InChI=1S/C19H18F3N5O2S/c1-11-8-12(2)17(13(3)9-11)27-18(24-25-26-27)30-10-16(28)23-14-4-6-15(7-5-14)29-19(20,21)22/h4-9H,10H2,1-3H3,(H,23,28)
InChIKey	SZPJIMIRLPRJTM-UHFFFAOYSA-N
Molecular Weight	437.441 g/mol
SMILES	CC1=CC(=C(N2C(=NN=N2)SCC(NC=2C=CC(OC(F)(F)F)=CC2)=O)C(=C1)C)C