3-[(m-nitroanilino)methyl]-2-benzothiazolinethione

SpectraBase Compound ID	CGcu2V4iT4o
InChI	InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey	QXJUHNJHOMXNDT-UHFFFAOYSA-N Google Search
Mol Weight	317.38 g/mol
Molecular Formula	C14H11N3O2S2
Exact Mass	317.029269 g/mol

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SpectraBase Spectrum ID	BH6L5tVxNbY
Name	3-[(3-Nitroanilino)methyl]-1,3-benzothiazole-2(3H)-thione
Alternate Name(s)	2-Benzothiazolinethione, 3-[(m-nitroanilino)methyl]- 3-(3-Nitroanilinomethyl)-2-benzothiazolinethione 3-[(3-nitroanilino)methyl]-1,3-benzothiazole-2-thione 3-[[(3-nitrophenyl)amino]methyl]-1,3-benzothiazole-2-thione
CAS Registry Number	65537-00-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H11N3O2S2
InChI	InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey	QXJUHNJHOMXNDT-UHFFFAOYSA-N
Molecular Weight	317.381 g/mol
SMILES	N(CN1C(=S)Sc2c1cccc2)c1cc(N(=O)=O)ccc1
SPLASH	splash10-0udi-9400000000-4bdbaf36a6ec982ff27a
Wiley ID	1468815