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4,5-Dimethyl-4H-1,2,4-triazol-3-yl 5-nitro-8-quinolinyl sulfide
SpectraBase Compound ID JzA6zZ0NWNC
InChI InChI=1S/C13H11N5O2S/c1-8-15-16-13(17(8)2)21-11-6-5-10(18(19)20)9-4-3-7-14-12(9)11/h3-7H,1-2H3
InChIKey RSICDKWAJFJAQC-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C13H11N5O2S
Exact Mass 301.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTs6D1fQBlt
Name 4,5-Dimethyl-4H-1,2,4-triazol-3-yl 5-nitro-8-quinolinyl sulfide
Alternate Name(s) 8-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-5-nitroquinoline 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinoline
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Formula C13H11N5O2S
InChI InChI=1S/C13H11N5O2S/c1-8-15-16-13(17(8)2)21-11-6-5-10(18(19)20)9-4-3-7-14-12(9)11/h3-7H,1-2H3
InChIKey RSICDKWAJFJAQC-UHFFFAOYSA-N
Molecular Weight 301.324 g/mol
SMILES c1([n](c(C)nn1)C)Sc1c2c(cccn2)c(N(=O)=O)cc1
SPLASH splash10-0udi-2798000000-207ec8cf7740376eafd5
Wiley ID 1451457