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8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinoline
SpectraBase Compound ID 6reOwxbwBND
InChI InChI=1S/C18H13N5O2S/c1-22-17(12-6-3-2-4-7-12)20-21-18(22)26-15-10-9-14(23(24)25)13-8-5-11-19-16(13)15/h2-11H,1H3
InChIKey SIUYBVVOMRNIJE-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C18H13N5O2S
Exact Mass 363.078996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVxycVGgVSP
Name 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N5O2S
InChI InChI=1S/C18H13N5O2S/c1-22-17(12-6-3-2-4-7-12)20-21-18(22)26-15-10-9-14(23(24)25)13-8-5-11-19-16(13)15/h2-11H,1H3
InChIKey SIUYBVVOMRNIJE-UHFFFAOYSA-N
Molecular Weight 363.395 g/mol
SMILES c1ccc(-c2[n](c(nn2)Sc2c3c(cccn3)c(N(=O)=O)cc2)C)cc1
SPLASH splash10-0296-9703000000-b54ac18d5e7928e60139
Synonyms 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-quinoline 8-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitroquinoline
Wiley ID 1451780