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Benzamide, 3-chloro-N-[[5-mercapto-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID InYLEcr48U0
InChI InChI=1S/C13H13ClN4OS/c1-2-6-18-11(16-17-13(18)20)8-15-12(19)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,19)(H,17,20)
InChIKey CEGDFYPKKNCXRE-UHFFFAOYSA-N
Mol Weight 308.79 g/mol
Molecular Formula C13H13ClN4OS
Exact Mass 308.04986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgQ2ALyDC9m
Name Benzamide, 3-chloro-N-[[5-mercapto-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]methyl]-
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Formula C13H13ClN4OS
InChI InChI=1S/C13H13ClN4OS/c1-2-6-18-11(16-17-13(18)20)8-15-12(19)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,19)(H,17,20)
InChIKey CEGDFYPKKNCXRE-UHFFFAOYSA-N
Molecular Weight 308.787 g/mol
SMILES N(C(c1cc(Cl)ccc1)=O)Cc1[n](c(nn1)S)CC=C
SPLASH splash10-029l-6912000000-f2bfdc8baeeb0dd226d5
Synonyms 3-Chloranyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide 3-Chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-chloro-benzamide
Wiley ID 1449177