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2-[(4-Benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone
SpectraBase Compound ID H1t3esYI0wW
InChI InChI=1S/C21H17N3OS2/c25-18(19-12-7-13-26-19)15-27-21-23-22-20(17-10-5-2-6-11-17)24(21)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey QVXMDOCMLUHZFW-UHFFFAOYSA-N
Mol Weight 391.51 g/mol
Molecular Formula C21H17N3OS2
Exact Mass 391.081305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Tfhz5SVrha
Name 2-[(4-Benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone
Alternate Name(s) 2-(4-Benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-thiophen-2-yl-ethanone 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone
CAS Registry Number 346639-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3OS2
InChI InChI=1S/C21H17N3OS2/c25-18(19-12-7-13-26-19)15-27-21-23-22-20(17-10-5-2-6-11-17)24(21)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKey QVXMDOCMLUHZFW-UHFFFAOYSA-N
Molecular Weight 391.507 g/mol
SMILES c1ccc(C[n]2c(nnc2SCC(c2sccc2)=O)-c2ccccc2)cc1
SPLASH splash10-01ox-9510000000-bd2f7a58eabc5a75fccc
Wiley ID 1458454