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3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)-4-methylbenzamide
SpectraBase Compound ID AGe0K0mF4gF
InChI InChI=1S/C16H17N5OS2/c1-9(2)12-8-24-15(17-12)13-18-19-16(23)21(13)20-14(22)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,19,23)(H,20,22)
InChIKey OUMOATBPQRYVRT-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C16H17N5OS2
Exact Mass 359.087453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EU5vZMqxvZ6
Name 3-(4-Isopropylthiazol-2-yl)-5-thioxo-1H-(1,2,4-triazol-4(5H)-yl)-4-methylbenzamide
Alternate Name(s) 4-methyl-N-[3-(4-propan-2-yl-2-thiazolyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide 4-methyl-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
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Formula C16H17N5OS2
InChI InChI=1S/C16H17N5OS2/c1-9(2)12-8-24-15(17-12)13-18-19-16(23)21(13)20-14(22)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,19,23)(H,20,22)
InChIKey OUMOATBPQRYVRT-UHFFFAOYSA-N
Molecular Weight 359.466 g/mol
SMILES N1N=C(N(C1=S)NC(c1ccc(cc1)C)=O)c1nc(C(C)C)cs1
SPLASH splash10-0a4i-0009000000-79d856578c17ca7205fd
Source of Spectrum F2-45-5126-4b
Wiley ID 1703738