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4,5,6-trimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-pyridine-3-carbonitrile
SpectraBase Compound ID FlgzxXiM23q
InChI InChI=1S/C16H14N6S/c1-10-11(2)14(9-17)15(18-12(10)3)23-16-19-20-21-22(16)13-7-5-4-6-8-13/h4-8H,1-3H3
InChIKey UZIFZOJYUHRJMD-UHFFFAOYSA-N
Mol Weight 322.39 g/mol
Molecular Formula C16H14N6S
Exact Mass 322.100066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZDXmStWHNH
Name 4,5,6-trimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-pyridine-3-carbonitrile
Alternate Name(s) 4,5,6-trimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile 4,5,6-trimethyl-2-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarbonitrile 4,5,6-trimethyl-2-[(1-phenyltetrazol-5-yl)thio]nicotinonitrile
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Formula C16H14N6S
InChI InChI=1S/C16H14N6S/c1-10-11(2)14(9-17)15(18-12(10)3)23-16-19-20-21-22(16)13-7-5-4-6-8-13/h4-8H,1-3H3
InChIKey UZIFZOJYUHRJMD-UHFFFAOYSA-N
Molecular Weight 322.390 g/mol
SMILES c1([n](nnn1)-c1ccccc1)Sc1c(c(C)c(c(n1)C)C)C#N
SPLASH splash10-0v0c-9320000000-3cc54437a52f2659bbb1
Wiley ID 1510688