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1-([((Z)-(Methylsulfanyl)([(methylsulfanyl)carbonyl]amino)methylidene)amino]carbonyl)-4-nitrobenzene
SpectraBase Compound ID 6q1zdo36KAo
InChI InChI=1S/C11H11N3O4S2/c1-19-10(13-11(16)20-2)12-9(15)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,13,15,16)
InChIKey HDNACKOVVSJCCM-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C11H11N3O4S2
Exact Mass 313.019098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lq2NoamFKiI
Name 1-([((Z)-(Methylsulfanyl)([(methylsulfanyl)carbonyl]amino)methylidene)amino]carbonyl)-4-nitrobenzene
CAS Registry Number 79340-33-3
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Formula C11H11N3O4S2
InChI InChI=1S/C11H11N3O4S2/c1-19-10(13-11(16)20-2)12-9(15)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,13,15,16)
InChIKey HDNACKOVVSJCCM-UHFFFAOYSA-N
Molecular Weight 313.346 g/mol
SMILES N(\C(=N\C(c1ccc(cc1)N(=O)=O)=O)SC)C(=O)SC
SPLASH splash10-0udi-7930000000-23483952eb6f4593f4de
Source of Spectrum HE-1982-0-0
Synonyms (NZ)-N-[(methylthio)-[(4-nitrobenzoyl)amino]methylene]thiocarbamic acid S-methyl ester (NZ)-N-[(methylthio)-[[(4-nitrophenyl)-oxomethyl]amino]methylidene]carbamothioic acid S-methyl ester Carbamothioic acid, [(methylthio)[(4-nitrobenzoyl)amino]methylene]-, S-methyl ester S-methyl (NZ)-N-[methylsulfanyl-[(4-nitrobenzoyl)amino]methylene]carbamothioate S-methyl (NZ)-N-[methylsulfanyl-[(4-nitrobenzoyl)amino]methylidene]carbamothioate S-methyl (NZ)-N-[methylsulfanyl-[(4-nitrophenyl)carbonylamino]methylidene]carbamothioate
Wiley ID 1314023