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1-(3-Methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
SpectraBase Compound ID 1tvFdncU49b
InChI InChI=1S/C15H15N7O4S/c1-20-13(7-21-9-16-14(19-21)22(24)25)17-18-15(20)27-8-12(23)10-4-3-5-11(6-10)26-2/h3-6,9H,7-8H2,1-2H3
InChIKey OOBLHZCAOFLBBJ-UHFFFAOYSA-N
Mol Weight 389.39 g/mol
Molecular Formula C15H15N7O4S
Exact Mass 389.090623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRzyp7NIPXf
Name 1-(3-Methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Alternate Name(s) 1-(3-Methoxyphenyl)-2-[[4-methyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(3-Methoxyphenyl)-2-[[4-methyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]ethanone
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Formula C15H15N7O4S
InChI InChI=1S/C15H15N7O4S/c1-20-13(7-21-9-16-14(19-21)22(24)25)17-18-15(20)27-8-12(23)10-4-3-5-11(6-10)26-2/h3-6,9H,7-8H2,1-2H3
InChIKey OOBLHZCAOFLBBJ-UHFFFAOYSA-N
Molecular Weight 389.390 g/mol
SMILES c1(nnc(SCC(c2cccc(c2)OC)=O)[n]1C)C[n]1nc(N(=O)=O)nc1
SPLASH splash10-000l-9600000000-ab2129a42db360a3e809
Wiley ID 1445180