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O-{1-Methyl-3-[(p-tolylsulfonyl)amino]butyl} 1H-imidazole-1-carbothioate
SpectraBase Compound ID 5iBpPlusB8f
InChI InChI=1S/C16H21N3O3S2/c1-12-4-6-15(7-5-12)24(20,21)18-13(2)10-14(3)22-16(23)19-9-8-17-11-19/h4-9,11,13-14,18H,10H2,1-3H3
InChIKey JMAVEMPEQNERGM-UHFFFAOYSA-N
Mol Weight 367.48 g/mol
Molecular Formula C16H21N3O3S2
Exact Mass 367.102434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH9uPCKKrYV
Name O-{1-Methyl-3-[(p-tolylsulfonyl)amino]butyl} 1H-imidazole-1-carbothioate
Alternate Name(s) 1-imidazolecarbothioic acid O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]ester imidazole-1-carbothioic acid O-[1-methyl-3-(tosylamino)butyl]ester O-(1-methyl-3-{[(4-methylphenyl)sulfonyl]amino}butyl) 1H-imidazole-1-carbothioate O-[1-methyl-3-(p-tolylsulfonylamino)butyl]imidazole-1-carbothioate O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]imidazole-1-carbothioate 1-imidazolecarbothioic acid O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] ester O-[1-methyl-3-(p-tolylsulfonylamino)butyl] imidazole-1-carbothioate O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] imidazole-1-carbothioate
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Formula C16H21N3O3S2
InChI InChI=1S/C16H21N3O3S2/c1-12-4-6-15(7-5-12)24(20,21)18-13(2)10-14(3)22-16(23)19-9-8-17-11-19/h4-9,11,13-14,18H,10H2,1-3H3
InChIKey JMAVEMPEQNERGM-UHFFFAOYSA-N
Molecular Weight 367.482 g/mol
SMILES N(C(CC(OC([n]1cncc1)=S)C)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-053u-3940000000-c18dad96dc4935d5fb66
Source of Spectrum U1-2002-2753-30
Wiley ID 1522982