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N-(4'-Nitrophenyl)-4-nitro-2-phenyl-3-(phenylamino)isothiazol-5(2H)-imine
SpectraBase Compound ID IChlM3z1Fxl
InChI InChI=1S/C21H15N5O4S/c27-25(28)18-13-11-16(12-14-18)23-21-19(26(29)30)20(22-15-7-3-1-4-8-15)24(31-21)17-9-5-2-6-10-17/h1-14,22H/b23-21-
InChIKey ZVUUZMZSQZQXTQ-LNVKXUELSA-N
Mol Weight 433.44 g/mol
Molecular Formula C21H15N5O4S
Exact Mass 433.084475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjYFphaIotN
Name N-(4'-Nitrophenyl)-4-nitro-2-phenyl-3-(phenylamino)isothiazol-5(2H)-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O4S
InChI InChI=1S/C21H15N5O4S/c27-25(28)18-13-11-16(12-14-18)23-21-19(26(29)30)20(22-15-7-3-1-4-8-15)24(31-21)17-9-5-2-6-10-17/h1-14,22H/b23-21-
InChIKey ZVUUZMZSQZQXTQ-LNVKXUELSA-N
Molecular Weight 433.442 g/mol
SMILES N(C1=C(\C(=N\c2ccc(N(=O)=O)cc2)SN1c1ccccc1)N(=O)=O)c1ccccc1
SPLASH splash10-000x-9710200000-862f3ca1c23dfc70f4e7
Source of Spectrum H-80-287-12
Synonyms (5Z)-4-nitro-5-[(4-nitrophenyl)imino]-N,2-diphenyl-2,5-dihydro-3-isothiazolamine N-[(5Z)-3-anilino-4-nitro-2-phenylisothiazolylidene]-N-(4-nitrophenyl)amine
Wiley ID 1382633