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(2-fluorophenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
SpectraBase Compound ID 6hAHTW5l4yA
InChI InChI=1S/C17H12FN7OS/c18-13-9-5-4-8-12(13)16(26)25-14(19-21-17(25)27)10-24-22-15(20-23-24)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,27)
InChIKey OWVOBLQNKIFVTD-UHFFFAOYSA-N
Mol Weight 381.39 g/mol
Molecular Formula C17H12FN7OS
Exact Mass 381.080807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErmYfI5sWY7
Name (2-fluorophenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12FN7OS
InChI InChI=1S/C17H12FN7OS/c18-13-9-5-4-8-12(13)16(26)25-14(19-21-17(25)27)10-24-22-15(20-23-24)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,27)
InChIKey OWVOBLQNKIFVTD-UHFFFAOYSA-N
Molecular Weight 381.389 g/mol
SMILES N1N=C(N(C1=S)C(c1c(F)cccc1)=O)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-0ke9-6900000000-844e6bf023ab9c2ec734
Source of Spectrum OP-24-494-2
Synonyms (2-fluorophenyl)-[3-[(5-phenyl-2-tetrazolyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone (2-fluorophenyl)-[3-[(5-phenyltetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone (2-fluorophenyl)-[3-[(5-phenyltetrazol-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]methanone
Wiley ID 850399