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(2-Thioxo-1,3-benzoxazol-3(2H)-yl)methyl N'-phenylimidothiocarbamate
SpectraBase Compound ID 5JNfi6zvSs7
InChI InChI=1S/C15H13N3OS2/c16-14(17-11-6-2-1-3-7-11)21-10-18-12-8-4-5-9-13(12)19-15(18)20/h1-9H,10H2,(H2,16,17)
InChIKey YZZUPLSWVGUKOX-UHFFFAOYSA-N
Mol Weight 315.41 g/mol
Molecular Formula C15H13N3OS2
Exact Mass 315.050004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40cef0fZd6X
Name (2-Thioxo-1,3-benzoxazol-3(2H)-yl)methyl N'-phenylimidothiocarbamate
Alternate Name(s) (2-sulfanylidene-1,3-benzoxazol-3-yl)methyl N'-phenylcarbamimidothioate 1-Phenyl-2-(2-thioxo-benzooxazol-3-ylmethyl)-isothiourea 3-Phenyl-2-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]isothiourea N'-phenylcarbamimidothioic acid (2-sulfanylidene-1,3-benzoxazol-3-yl)methyl ester
CAS Registry Number 339312-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3OS2
InChI InChI=1S/C15H13N3OS2/c16-14(17-11-6-2-1-3-7-11)21-10-18-12-8-4-5-9-13(12)19-15(18)20/h1-9H,10H2,(H2,16,17)
InChIKey YZZUPLSWVGUKOX-UHFFFAOYSA-N
Molecular Weight 315.409 g/mol
SMILES N\C(SCN1C(Oc2c1cccc2)=S)=N\c1ccccc1
SPLASH splash10-0v00-8900000000-ef6334c5cd5f32eb0af5
Wiley ID 1461886