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1-BENZYLIDENEAMINO-5-(1,2-DIMETHOXYCARBONYL)-HYDRAZINO-2-METHYLTHIO-4-PHENYL-IH-IMIDAZOLE
SpectraBase Compound ID 9jWdbvWmfAo
InChI InChI=1S/C21H21N5O4S/c1-29-20(27)24-26(21(28)30-2)18-17(16-12-8-5-9-13-16)23-19(31-3)25(18)22-14-15-10-6-4-7-11-15/h4-14H,1-3H3,(H,24,27)/b22-14+
InChIKey NKNAMRKPZFHLLR-HYARGMPZSA-N
Mol Weight 439.49 g/mol
Molecular Formula C21H21N5O4S
Exact Mass 439.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlA5hc3mkJ2
Name Methyl N-(methoxycarbonylamino)-N-[2-methylsulfanyl-5-phenyl-3-[(E)-(phenylmethylidene)amino]imidazol-4-yl]carbamate
Alternate Name(s) Methyl N-[3-[(E)-benzylideneamino]-2-methylsulfanyl-5-phenyl-imidazol-4-yl]-N-(methoxycarbonylamino)carbamate N-(methoxycarbonylamino)-N-[2-(methylthio)-5-phenyl-3-[(E)-(phenylmethylene)amino]-4-imidazolyl]carbamic acid methyl ester N-[3-[(E)-benzalamino]-2-(methylthio)-5-phenyl-imidazol-4-yl]-N-(carbomethoxyamino)carbamic acid methyl ester
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Formula C21H21N5O4S
InChI InChI=1S/C21H21N5O4S/c1-29-20(27)24-26(21(28)30-2)18-17(16-12-8-5-9-13-16)23-19(31-3)25(18)22-14-15-10-6-4-7-11-15/h4-14H,1-3H3,(H,24,27)/b22-14+
InChIKey NKNAMRKPZFHLLR-HYARGMPZSA-N
Molecular Weight 439.490 g/mol
SMILES N(N(c1[n](c(SC)nc1-c1ccccc1)\N=C\c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-015i-0067900000-6e0ff81f21037ae17bf4
Source of Spectrum Y-33-43-17
Wiley ID 1384388