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4,6-Diphenyl-6H-pyrazolo[3,4-c]isothiazole-3-carbonitrile
SpectraBase Compound ID 7uFiGbbICWW
InChI InChI=1S/C17H10N4S/c18-11-14-15-16(12-7-3-1-4-8-12)19-21(17(15)20-22-14)13-9-5-2-6-10-13/h1-10H
InChIKey QZYAEXRVFYZKCU-UHFFFAOYSA-N
Mol Weight 302.36 g/mol
Molecular Formula C17H10N4S
Exact Mass 302.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PCEXakpGKm
Name 4,6-Diphenyl-6H-pyrazolo[3,4-c]isothiazole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10N4S
InChI InChI=1S/C17H10N4S/c18-11-14-15-16(12-7-3-1-4-8-12)19-21(17(15)20-22-14)13-9-5-2-6-10-13/h1-10H
InChIKey QZYAEXRVFYZKCU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500509e
Molecular Weight 302.355 g/mol
SMILES c1(-c2ccccc2)n[n](c2c1c(C#N)sn2)-c1ccccc1
SPLASH splash10-0ufr-8109000000-27b8e5afe827d040a2cb
Source of Spectrum J-79-4034-5j
Synonyms 4,6-Diphenyl-3-pyrazolo[3,4-c]isothiazolecarbonitrile 4,6-Diphenylpyrazolo[3,4-c]isothiazole-3-carbonitrile 4,6-Diphenylpyrazolo[3,4-c][1,2]thiazole-3-carbonitrile
Wiley ID 1746254