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3,5-bis(1,3-Benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-4-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,5-bis(1,3-Benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-4-amine
SpectraBase Compound ID 7CvbbHlTFfT
InChI InChI=1S/C18H14N6S4/c19-24-15(9-25-17-20-11-5-1-3-7-13(11)27-17)22-23-16(24)10-26-18-21-12-6-2-4-8-14(12)28-18/h1-8H,9-10,19H2
InChIKey IFFDSRHSEIMHTN-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C18H14N6S4
Exact Mass 442.016279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcO99PMLf2j
Name 3,5-bis(1,3-Benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.016279171 u
Formula C18H14N6S4
InChI InChI=1S/C18H14N6S4/c19-24-15(9-25-17-20-11-5-1-3-7-13(11)27-17)22-23-16(24)10-26-18-21-12-6-2-4-8-14(12)28-18/h1-8H,9-10,19H2
InChIKey IFFDSRHSEIMHTN-UHFFFAOYSA-N
Molecular Weight 442.592 g/mol
SMILES C1(=NN=C(N1N)CSC1=NC=2C(S1)=CC=CC2)CSC=1SC=2C(N1)=CC=CC2