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6-Amino-5-cyano-2-methyl-4-[4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-thiophenyl]-4H-pyran-3-carboxylic acid ethyl ester
SpectraBase Compound ID FDxZYRcf7mN
InChI InChI=1S/C17H18N6O3S2/c1-4-25-16(24)13-9(2)26-15(19)11(6-18)14(13)12-5-10(7-27-12)8-28-17-20-21-22-23(17)3/h5,7,14H,4,8,19H2,1-3H3
InChIKey PHDZBLLRNJGMOW-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C17H18N6O3S2
Exact Mass 418.088181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuMBVahAXxH
Name 6-Amino-5-cyano-2-methyl-4-[4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-thiophenyl]-4H-pyran-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N6O3S2
InChI InChI=1S/C17H18N6O3S2/c1-4-25-16(24)13-9(2)26-15(19)11(6-18)14(13)12-5-10(7-27-12)8-28-17-20-21-22-23(17)3/h5,7,14H,4,8,19H2,1-3H3
InChIKey PHDZBLLRNJGMOW-UHFFFAOYSA-N
Molecular Weight 418.490 g/mol
SMILES NC=1OC(C)=C(C(OCC)=O)C(C1C#N)c1cc(CSc2nnn[n]2C)cs1
SPLASH splash10-0007-9520000000-de079f098a5ee76ef9de
Synonyms 6-Amino-5-cyano-2-methyl-4-[4-[[(1-methyltetrazol-5-yl)thio]methyl]-2-thienyl]-4H-pyran-3-carboxylic acid ethyl ester Ethyl 6-amino-5-cyano-2-methyl-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-thienyl]-4H-pyran-3-carboxylate Ethyl 6-amino-5-cyano-2-methyl-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]thiophen-2-yl]-4H-pyran-3-carboxylate Ethyl 6-azanyl-5-cyano-2-methyl-4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophen-2-yl]-4H-pyran-3-carboxylate
Wiley ID 1512447