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3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)-4-methoxybenzamide
SpectraBase Compound ID HSxpIUCULlx
InChI InChI=1S/C16H17N5O2S2/c1-9(2)12-8-25-15(17-12)13-18-19-16(24)21(13)20-14(22)10-4-6-11(23-3)7-5-10/h4-9H,1-3H3,(H,19,24)(H,20,22)
InChIKey ASJXCMWSXQNLTA-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C16H17N5O2S2
Exact Mass 375.082367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX0lhmNglYb
Name 3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)-4-methoxybenzamide
Alternate Name(s) 4-methoxy-N-[3-(4-propan-2-yl-2-thiazolyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide 4-methoxy-N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O2S2
InChI InChI=1S/C16H17N5O2S2/c1-9(2)12-8-25-15(17-12)13-18-19-16(24)21(13)20-14(22)10-4-6-11(23-3)7-5-10/h4-9H,1-3H3,(H,19,24)(H,20,22)
InChIKey ASJXCMWSXQNLTA-UHFFFAOYSA-N
Molecular Weight 375.465 g/mol
SMILES N1N=C(N(C1=S)NC(c1ccc(cc1)OC)=O)c1nc(C(C)C)cs1
SPLASH splash10-004i-0009000000-79e71a28b8038bb734c8
Source of Spectrum F2-45-5126-4d
Wiley ID 1703736