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Acetamide, 2-[[5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[4-(1-methylethyl)phenyl]-
SpectraBase Compound ID 17WIOADg3E9
InChI InChI=1S/C27H26N4O4S/c1-18(2)19-8-10-20(11-9-19)28-26(32)16-36-27-30-29-25(31(27)21-6-4-3-5-7-21)15-33-22-12-13-23-24(14-22)35-17-34-23/h3-14,18H,15-17H2,1-2H3,(H,28,32)
InChIKey KEAJKUYPEIVXER-UHFFFAOYSA-N
Mol Weight 502.59 g/mol
Molecular Formula C27H26N4O4S
Exact Mass 502.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1PmFm6UHB0
Name Acetamide, 2-[[5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[4-(1-methylethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N4O4S
InChI InChI=1S/C27H26N4O4S/c1-18(2)19-8-10-20(11-9-19)28-26(32)16-36-27-30-29-25(31(27)21-6-4-3-5-7-21)15-33-22-12-13-23-24(14-22)35-17-34-23/h3-14,18H,15-17H2,1-2H3,(H,28,32)
InChIKey KEAJKUYPEIVXER-UHFFFAOYSA-N
Molecular Weight 502.589 g/mol
SMILES N(C(CSc1[n](c(nn1)COc1cc2OCOc2cc1)-c1ccccc1)=O)c1ccc(cc1)C(C)C
SPLASH splash10-00m0-4922000000-5f268c2bc6f142fe996e
Source of Spectrum IY-1-4690-2
Synonyms 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
Wiley ID 1654885