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2-Amino-5-keto-7,7-dimethyl-4-[4-[[(1-methyltetrazol-5-yl)thio]methyl]-2-thienyl]-6,8-dihydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 73Q1B5r0R7U
InChI InChI=1S/C19H20N6O2S2/c1-19(2)5-12(26)16-13(6-19)27-17(21)11(7-20)15(16)14-4-10(8-28-14)9-29-18-22-23-24-25(18)3/h4,8,15H,5-6,9,21H2,1-3H3
InChIKey XPTHGAQXLXIICR-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C19H20N6O2S2
Exact Mass 428.108916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LY6w8WD0C5d
Name 2-Amino-5-keto-7,7-dimethyl-4-[4-[[(1-methyltetrazol-5-yl)thio]methyl]-2-thienyl]-6,8-dihydro-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N6O2S2
InChI InChI=1S/C19H20N6O2S2/c1-19(2)5-12(26)16-13(6-19)27-17(21)11(7-20)15(16)14-4-10(8-28-14)9-29-18-22-23-24-25(18)3/h4,8,15H,5-6,9,21H2,1-3H3
InChIKey XPTHGAQXLXIICR-UHFFFAOYSA-N
Molecular Weight 428.529 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)c1scc(c1)CSc1[n](nnn1)C)C#N
SPLASH splash10-00kk-9320000000-ea850955ba2478c3abc2
Synonyms 2-Amino-7,7-dimethyl-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-thienyl]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile 2-Amino-7,7-dimethyl-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]thiophen-2-yl]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile 2-Amino-7,7-dimethyl-4-[4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-thiophenyl]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile 2-Azanyl-7,7-dimethyl-4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophen-2-yl]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
Wiley ID 1512363