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1-(4-Chlorobenzoyl)-4-[5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazine
SpectraBase Compound ID 2T7Uxo5fqMm
InChI InChI=1S/C17H16ClN7O3S/c1-22-13(25(27)28)10-19-14(22)15-20-21-17(29-15)24-8-6-23(7-9-24)16(26)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3
InChIKey HFWKABDPKWCDGT-UHFFFAOYSA-N
Mol Weight 433.87 g/mol
Molecular Formula C17H16ClN7O3S
Exact Mass 433.072386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKpBUwJ7DS9
Name 1-(4-Chlorobenzoyl)-4-[5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazine
Alternate Name(s) (4-chlorophenyl)-[4-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]methanone (4-chlorophenyl)-[4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
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Formula C17H16ClN7O3S
InChI InChI=1S/C17H16ClN7O3S/c1-22-13(25(27)28)10-19-14(22)15-20-21-17(29-15)24-8-6-23(7-9-24)16(26)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3
InChIKey HFWKABDPKWCDGT-UHFFFAOYSA-N
Molecular Weight 433.874 g/mol
SMILES C1N(CCN(C1)c1sc(nn1)-c1ncc([n]1C)N(=O)=O)C(c1ccc(cc1)Cl)=O
SPLASH splash10-052r-3941100000-35f853ac9cfc9f098ef2
Source of Spectrum F2-44-1760-5d
Wiley ID 1716260