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4H-1,2,4-triazole, 3-[[2-nitro-4-(1-pyrrolidinylcarbonyl)phenyl]thio]-4-phenyl-5-(phenylmethyl)-
SpectraBase Compound ID JsJesMBlgbr
InChI InChI=1S/C26H23N5O3S/c32-25(29-15-7-8-16-29)20-13-14-23(22(18-20)31(33)34)35-26-28-27-24(17-19-9-3-1-4-10-19)30(26)21-11-5-2-6-12-21/h1-6,9-14,18H,7-8,15-17H2
InChIKey RFGAHLOPQGBNGD-UHFFFAOYSA-N
Mol Weight 485.56 g/mol
Molecular Formula C26H23N5O3S
Exact Mass 485.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hBeUIpQCYj
Name [3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-pyrrolidin-1-yl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N5O3S
InChI InChI=1S/C26H23N5O3S/c32-25(29-15-7-8-16-29)20-13-14-23(22(18-20)31(33)34)35-26-28-27-24(17-19-9-3-1-4-10-19)30(26)21-11-5-2-6-12-21/h1-6,9-14,18H,7-8,15-17H2
InChIKey RFGAHLOPQGBNGD-UHFFFAOYSA-N
Molecular Weight 485.562 g/mol
SMILES c1([n](c(Cc2ccccc2)nn1)-c1ccccc1)Sc1c(N(=O)=O)cc(C(N2CCCC2)=O)cc1
SPLASH splash10-0006-9511200000-bf11fa2e4f8992e877b5
Synonyms [3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-(1-pyrrolidinyl)methanone [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-pyrrolidino-methanone
Wiley ID 1454664