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10-{[(1-cyclohexyl-1H-tetraazol-5-yl)sulfanyl]acetyl}-10H-phenothiazine

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10-{[(1-cyclohexyl-1H-tetraazol-5-yl)sulfanyl]acetyl}-10H-phenothiazine
SpectraBase Compound ID 6tlXpcWgObD
InChI InChI=1S/C21H21N5OS2/c27-20(14-28-21-22-23-24-26(21)15-8-2-1-3-9-15)25-16-10-4-6-12-18(16)29-19-13-7-5-11-17(19)25/h4-7,10-13,15H,1-3,8-9,14H2
InChIKey YNQWKKRODBZDDL-UHFFFAOYSA-N
Mol Weight 423.55 g/mol
Molecular Formula C21H21N5OS2
Exact Mass 423.118753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aUAmqinvQo
Name 10-{[(1-cyclohexyl-1H-tetraazol-5-yl)sulfanyl]acetyl}-10H-phenothiazine
Comments Computed using HOSE algorithm
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Exact Mass 423.118752663 u
Formula C21H21N5OS2
InChI InChI=1S/C21H21N5OS2/c27-20(14-28-21-22-23-24-26(21)15-8-2-1-3-9-15)25-16-10-4-6-12-18(16)29-19-13-7-5-11-17(19)25/h4-7,10-13,15H,1-3,8-9,14H2
InChIKey YNQWKKRODBZDDL-UHFFFAOYSA-N
Molecular Weight 423.553 g/mol
SMILES C1CCC(N2C(=NN=N2)SCC(N2C3=C(C=CC=C3)SC3=C2C=CC=C3)=O)CC1