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Acetamide, N-(4-iodophenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID BcQeEZtVH4o
InChI InChI=1S/C18H16IN5OS/c1-2-10-24-17(13-4-3-9-20-11-13)22-23-18(24)26-12-16(25)21-15-7-5-14(19)6-8-15/h2-9,11H,1,10,12H2,(H,21,25)
InChIKey MPCTZOCGQFBQDF-UHFFFAOYSA-N
Mol Weight 477.32 g/mol
Molecular Formula C18H16IN5OS
Exact Mass 477.012026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KkIJ8BYsS
Name Acetamide, N-(4-iodophenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
Alternate Name(s) N-(4-iodophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide N-(4-iodophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide N-(4-iodophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
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Formula C18H16IN5OS
InChI InChI=1S/C18H16IN5OS/c1-2-10-24-17(13-4-3-9-20-11-13)22-23-18(24)26-12-16(25)21-15-7-5-14(19)6-8-15/h2-9,11H,1,10,12H2,(H,21,25)
InChIKey MPCTZOCGQFBQDF-UHFFFAOYSA-N
Molecular Weight 477.324 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O)c1ccc(I)cc1
SPLASH splash10-052o-9440000000-ed940b98a9e27aaeb47d
Source of Spectrum IY-1-4625-2
Wiley ID 1654235