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10-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-10H-phenothiazine

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10-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-10H-phenothiazine
SpectraBase Compound ID CmzEP64Hi8y
InChI InChI=1S/C23H18N4OS2/c1-15-10-12-16(13-11-15)22-24-23(26-25-22)29-14-21(28)27-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)27/h2-13H,14H2,1H3,(H,24,25,26)
InChIKey WHGRAAUHUFOFGK-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C23H18N4OS2
Exact Mass 430.092204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mfOf5YGtWq
Name 10-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-10H-phenothiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.092203563 u
Formula C23H18N4OS2
InChI InChI=1S/C23H18N4OS2/c1-15-10-12-16(13-11-15)22-24-23(26-25-22)29-14-21(28)27-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)27/h2-13H,14H2,1H3,(H,24,25,26)
InChIKey WHGRAAUHUFOFGK-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES N1C(=NN=C1SCC(N1C2=C(C=CC=C2)SC2=C1C=CC=C2)=O)C1=CC=C(C=C1)C