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phenyl-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
SpectraBase Compound ID 2E4AFWldpqc
InChI InChI=1S/C17H13N7OS/c25-16(13-9-5-2-6-10-13)24-14(18-20-17(24)26)11-23-21-15(19-22-23)12-7-3-1-4-8-12/h1-10H,11H2,(H,20,26)
InChIKey MQGGREGOHHDTBD-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C17H13N7OS
Exact Mass 363.090229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aOuNHaCMSK
Name phenyl-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
Alternate Name(s) phenyl-[3-[(5-phenyl-2-tetrazolyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone phenyl-[3-[(5-phenyltetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone phenyl-[3-[(5-phenyltetrazol-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]methanone
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Formula C17H13N7OS
InChI InChI=1S/C17H13N7OS/c25-16(13-9-5-2-6-10-13)24-14(18-20-17(24)26)11-23-21-15(19-22-23)12-7-3-1-4-8-12/h1-10H,11H2,(H,20,26)
InChIKey MQGGREGOHHDTBD-UHFFFAOYSA-N
Molecular Weight 363.399 g/mol
SMILES N1N=C(N(C1=S)C(=O)c1ccccc1)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-0a4i-9700000000-a9f0fc28aa2b83fe0de8
Source of Spectrum OP-24-494-2
Wiley ID 850402