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5-Anilino-3-[2'-(anilinomethyl)pyrrolidino]-1,2,4-thiadiazole

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5-Anilino-3-[2'-(anilinomethyl)pyrrolidino]-1,2,4-thiadiazole
SpectraBase Compound ID IgF528DTlUM
InChI InChI=1S/C19H21N5S/c1-3-8-15(9-4-1)20-14-17-12-7-13-24(17)18-22-19(25-23-18)21-16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2,(H,21,22,23)/t17-/m0/s1
InChIKey PDBDHKOSSQRHRC-KRWDZBQOSA-N
Mol Weight 351.47 g/mol
Molecular Formula C19H21N5S
Exact Mass 351.151767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7D1SoMmsRrm
Name 5-Anilino-3-[2'-(anilinomethyl)pyrrolidino]-1,2,4-thiadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.151766870 u
Formula C19H21N5S
InChI InChI=1S/C19H21N5S/c1-3-8-15(9-4-1)20-14-17-12-7-13-24(17)18-22-19(25-23-18)21-16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2,(H,21,22,23)/t17-/m0/s1
InChIKey PDBDHKOSSQRHRC-KRWDZBQOSA-N
Molecular Weight 351.472 g/mol
SMILES C=1(N=C(NC=2C=CC=CC2)SN1)N1[C@](CNC=2C=CC=CC2)(CCC1)[H]