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(4-chlorophenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
SpectraBase Compound ID KyFVpl4H7b3
InChI InChI=1S/C17H12ClN7OS/c18-13-8-6-12(7-9-13)16(26)25-14(19-21-17(25)27)10-24-22-15(20-23-24)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,27)
InChIKey SXDFEOSZPPTHCR-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C17H12ClN7OS
Exact Mass 397.051257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHrlSEwKwAG
Name (4-chlorophenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
Alternate Name(s) (4-chlorophenyl)-[3-[(5-phenyl-2-tetrazolyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone (4-chlorophenyl)-[3-[(5-phenyltetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone (4-chlorophenyl)-[3-[(5-phenyltetrazol-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]methanone
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Formula C17H12ClN7OS
InChI InChI=1S/C17H12ClN7OS/c18-13-8-6-12(7-9-13)16(26)25-14(19-21-17(25)27)10-24-22-15(20-23-24)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,27)
InChIKey SXDFEOSZPPTHCR-UHFFFAOYSA-N
Molecular Weight 397.844 g/mol
SMILES N1N=C(N(C1=S)C(c1ccc(cc1)Cl)=O)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-08fr-1900000000-47bbb85c7317e2f72180
Source of Spectrum OP-24-494-2
Wiley ID 850398