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3H-1,2,4-triazole-3-thione, 2,4-dihydro-4,5-diphenyl-2-(1-pyrrolidinylmethyl)-

View entire compound with spectra: 2 NMR

3H-1,2,4-triazole-3-thione, 2,4-dihydro-4,5-diphenyl-2-(1-pyrrolidinylmethyl)-
SpectraBase Compound ID 2m82XxGhXc9
InChI InChI=1S/C19H20N4S/c24-19-22(15-21-13-7-8-14-21)20-18(16-9-3-1-4-10-16)23(19)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKey BTYPKCGNTMPAQE-UHFFFAOYSA-N
Mol Weight 336.46 g/mol
Molecular Formula C19H20N4S
Exact Mass 336.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6d5rbBcpeUH
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-diphenyl-2-(1-pyrrolidinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.140867834 u
Formula C19H20N4S
InChI InChI=1S/C19H20N4S/c24-19-22(15-21-13-7-8-14-21)20-18(16-9-3-1-4-10-16)23(19)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKey BTYPKCGNTMPAQE-UHFFFAOYSA-N
Molecular Weight 336.457 g/mol
SMILES C=1C=CC(N2C(N(N=C2C=2C=CC=CC2)CN2CCCC2)=S)=CC1