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3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(phenylmethyl)-4-(2-propenyl)-2-(9H-xanthen-9-yl)-
SpectraBase Compound ID 9zvV3zAvcur
InChI InChI=1S/C25H21N3OS/c1-2-16-27-23(17-18-10-4-3-5-11-18)26-28(25(27)30)24-19-12-6-8-14-21(19)29-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2
InChIKey PJBYKRBPAUICKI-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C25H21N3OS
Exact Mass 411.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tt0afbFNZU
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(phenylmethyl)-4-(2-propenyl)-2-(9H-xanthen-9-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N3OS
InChI InChI=1S/C25H21N3OS/c1-2-16-27-23(17-18-10-4-3-5-11-18)26-28(25(27)30)24-19-12-6-8-14-21(19)29-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2
InChIKey PJBYKRBPAUICKI-UHFFFAOYSA-N
Molecular Weight 411.523 g/mol
SMILES c1ccccc1CC1=NN(C2c3c(Oc4c2cccc4)cccc3)C(=S)N1CC=C
SPLASH splash10-001i-2900000000-aaa66fca79b24742800a
Source of Spectrum IY-1-4628-4
Synonyms 5-Benzyl-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione 5-(Phenylmethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Wiley ID 1654267