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2H-1,3-Benzimidazol-2-one, 1,3-dihydro-1,3-dimethyl-5-[2-[[5-(phenylmethyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
SpectraBase Compound ID IrDFsxWoR2o
InChI InChI=1S/C23H23N5O2S/c1-4-12-28-21(13-16-8-6-5-7-9-16)24-25-22(28)31-15-20(29)17-10-11-18-19(14-17)27(3)23(30)26(18)2/h4-11,14H,1,12-13,15H2,2-3H3
InChIKey SHXLEHCRTJHZCM-UHFFFAOYSA-N
Mol Weight 433.53 g/mol
Molecular Formula C23H23N5O2S
Exact Mass 433.157246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbK7TSWtR7k
Name 2H-1,3-Benzimidazol-2-one, 1,3-dihydro-1,3-dimethyl-5-[2-[[5-(phenylmethyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-
Alternate Name(s) 1,3-Dimethyl-5-[1-oxo-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl]-2-benzimidazolone 5-[2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethylbenzimidazol-2-one 5-[2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethyl-benzimidazol-2-one 1,3-Dimethyl-5-[2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzimidazol-2-one
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Formula C23H23N5O2S
InChI InChI=1S/C23H23N5O2S/c1-4-12-28-21(13-16-8-6-5-7-9-16)24-25-22(28)31-15-20(29)17-10-11-18-19(14-17)27(3)23(30)26(18)2/h4-11,14H,1,12-13,15H2,2-3H3
InChIKey SHXLEHCRTJHZCM-UHFFFAOYSA-N
Molecular Weight 433.530 g/mol
SMILES C1(N(c2cc(C(CSc3[n](c(Cc4ccccc4)nn3)CC=C)=O)ccc2N1C)C)=O
SPLASH splash10-000l-5910000000-b822a90a1a65eba50733
Source of Spectrum IY-1-4696-7
Wiley ID 1654950