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2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-methylphenyl)-N-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

View entire compound with spectra: 1 MS (GC)

2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-methylphenyl)-N-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID Cb7dZxq4QGl
InChI InChI=1S/C27H27N5O2S/c1-18-13-15-20(16-14-18)23-22(24(33)28-21-11-7-4-8-12-21)27(2,34)32-25(29-23)30-26(31-32)35-17-19-9-5-3-6-10-19/h3-16,22-23,34H,17H2,1-2H3,(H,28,33)(H,29,30,31)
InChIKey ZARIQTHQPIWBHB-UHFFFAOYSA-N
Mol Weight 485.61 g/mol
Molecular Formula C27H27N5O2S
Exact Mass 485.188546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98Eb4MGXfEK
Name 2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-methylphenyl)-N-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N5O2S
InChI InChI=1S/C27H27N5O2S/c1-18-13-15-20(16-14-18)23-22(24(33)28-21-11-7-4-8-12-21)27(2,34)32-25(29-23)30-26(31-32)35-17-19-9-5-3-6-10-19/h3-16,22-23,34H,17H2,1-2H3,(H,28,33)(H,29,30,31)
InChIKey ZARIQTHQPIWBHB-UHFFFAOYSA-N
Molecular Weight 485.606 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)C)C(Nc1ccccc1)=O)c1ccc(cc1)C
SPLASH splash10-0a6u-6729000000-7361b2339677b3e7fa62
Source of Spectrum F-67-9394-4c
Wiley ID 1691233