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Propanamide, N-[4-[5-[[(2-cyanophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID LYlMoGkfxv1
InChI InChI=1S/C16H15N7O2S/c1-3-12(24)18-14-13(21-25-22-14)15-19-20-16(23(15)2)26-9-11-7-5-4-6-10(11)8-17/h4-7H,3,9H2,1-2H3,(H,18,22,24)
InChIKey JVRWBCRARRTTNG-UHFFFAOYSA-N
Mol Weight 369.4 g/mol
Molecular Formula C16H15N7O2S
Exact Mass 369.100794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3R8qctFajW
Name Propanamide, N-[4-[5-[[(2-cyanophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N7O2S
InChI InChI=1S/C16H15N7O2S/c1-3-12(24)18-14-13(21-25-22-14)15-19-20-16(23(15)2)26-9-11-7-5-4-6-10(11)8-17/h4-7H,3,9H2,1-2H3,(H,18,22,24)
InChIKey JVRWBCRARRTTNG-UHFFFAOYSA-N
Molecular Weight 369.403 g/mol
SMILES N(c1c(-c2[n](c(SCc3ccccc3C#N)nn2)C)non1)C(=O)CC
SPLASH splash10-00kf-1539000000-2fd95bb8a61c9d1de182
Source of Spectrum IY-1-4386-7
Synonyms N-[4-[5-[(2-cyanophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]propanamide N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]propanamide
Wiley ID 1651850