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3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)benzamide
SpectraBase Compound ID DW3rORpgCv8
InChI InChI=1S/C15H15N5OS2/c1-9(2)11-8-23-14(16-11)12-17-18-15(22)20(12)19-13(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,22)(H,19,21)
InChIKey HBIOVWXGPVAGKV-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C15H15N5OS2
Exact Mass 345.071802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNYH2rr8dCT
Name 3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)benzamide
Alternate Name(s) N-[3-(4-propan-2-yl-2-thiazolyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide 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 C15H15N5OS2
InChI InChI=1S/C15H15N5OS2/c1-9(2)11-8-23-14(16-11)12-17-18-15(22)20(12)19-13(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,22)(H,19,21)
InChIKey HBIOVWXGPVAGKV-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES N1N=C(N(C1=S)NC(=O)c1ccccc1)c1nc(C(C)C)cs1
SPLASH splash10-0002-0009000000-a60d2fb9aefb4e6b57d7
Source of Spectrum F2-45-5126-4a
Wiley ID 1703739