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4-Anilino-5-phenyl-2-[(1,3,4-thiadiazol-2-ylamino)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID JFtRXMhFJ55
InChI InChI=1S/C17H15N7S2/c25-17-23(11-18-16-20-19-12-26-16)22-15(13-7-3-1-4-8-13)24(17)21-14-9-5-2-6-10-14/h1-10,12,21H,11H2,(H,18,20)
InChIKey NGWJPGZQIGGLNB-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C17H15N7S2
Exact Mass 381.083036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5szz7FNQ0a
Name 4-Anilino-5-phenyl-2-[(1,3,4-thiadiazol-2-ylamino)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Appearance White crystals
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Formula C17H15N7S2
InChI InChI=1S/C17H15N7S2/c25-17-23(11-18-16-20-19-12-26-16)22-15(13-7-3-1-4-8-13)24(17)21-14-9-5-2-6-10-14/h1-10,12,21H,11H2,(H,18,20)
InChIKey NGWJPGZQIGGLNB-UHFFFAOYSA-N
Instrument Name Micromass 7070 E
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.04.016
Molecular Weight 381.476 g/mol
SMILES N(c1ccccc1)N1C(N(CNc2scnn2)N=C1c1ccccc1)=S
SPLASH splash10-03di-9000000000-b8ee5c7bf1a256c30774
Source of Spectrum AJC-9-S1655-2b
Wiley ID 1857097