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2H-1,3-Benzimidazol-2-one, 1,3-dihydro-1,3-dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-

View entire compound with spectra: 1 MS (GC)

2H-1,3-Benzimidazol-2-one, 1,3-dihydro-1,3-dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
SpectraBase Compound ID FwtyAJZ1xSW
InChI InChI=1S/C21H21N5O2S/c1-13-5-7-14(8-6-13)19-22-23-20(26(19)4)29-12-18(27)15-9-10-16-17(11-15)25(3)21(28)24(16)2/h5-11H,12H2,1-4H3
InChIKey KZTJPTPKWQSCIN-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nZ3ui64XuZ
Name 2H-1,3-Benzimidazol-2-one, 1,3-dihydro-1,3-dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
Alternate Name(s) 1,3-Dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-benzimidazolone 1,3-Dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzimidazol-2-one 1,3-Dimethyl-5-[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzimidazol-2-one 1,3-Dimethyl-5-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzimidazol-2-one
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Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-13-5-7-14(8-6-13)19-22-23-20(26(19)4)29-12-18(27)15-9-10-16-17(11-15)25(3)21(28)24(16)2/h5-11H,12H2,1-4H3
InChIKey KZTJPTPKWQSCIN-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
SMILES C1(N(c2cc(C(CSc3[n](c(-c4ccc(cc4)C)nn3)C)=O)ccc2N1C)C)=O
SPLASH splash10-000i-4910000000-c79ae85a98f0733962f7
Source of Spectrum IY-1-4694-6
Wiley ID 1654929