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(3-methylphenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
SpectraBase Compound ID 9msvXNLxyzr
InChI InChI=1S/C18H15N7OS/c1-12-6-5-9-14(10-12)17(26)25-15(19-21-18(25)27)11-24-22-16(20-23-24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,27)
InChIKey ANUNOKYDVVBMLK-UHFFFAOYSA-N
Mol Weight 377.43 g/mol
Molecular Formula C18H15N7OS
Exact Mass 377.105879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoTwdXiahsb
Name (3-methylphenyl)-[3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone
Alternate Name(s) (3-methylphenyl)-[3-[(5-phenyl-2-tetrazolyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone (3-methylphenyl)-[3-[(5-phenyltetrazol-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methanone m-Tolyl-[3-[(5-phenyltetrazol-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]methanone
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Formula C18H15N7OS
InChI InChI=1S/C18H15N7OS/c1-12-6-5-9-14(10-12)17(26)25-15(19-21-18(25)27)11-24-22-16(20-23-24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,27)
InChIKey ANUNOKYDVVBMLK-UHFFFAOYSA-N
Molecular Weight 377.426 g/mol
SMILES N1N=C(N(C1=S)C(c1cc(C)ccc1)=O)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-0gb9-2900000000-631100db65f6b572433b
Source of Spectrum OP-24-494-2
Wiley ID 850394