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2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-naphthyl)acetamide

View entire compound with spectra: 2 NMR

2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-naphthyl)acetamide
SpectraBase Compound ID BcqObrvZCIB
InChI InChI=1S/C18H20N4OS/c1-2-3-8-16-20-18(22-21-16)24-12-17(23)19-15-10-9-13-6-4-5-7-14(13)11-15/h4-7,9-11H,2-3,8,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKey BWQVPJOMOLXFHB-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LC4V3PwFN5A
Name 2-[(5-Butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-naphthyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 340.135782453 u
Formula C18H20N4OS
InChI InChI=1S/C18H20N4OS/c1-2-3-8-16-20-18(22-21-16)24-12-17(23)19-15-10-9-13-6-4-5-7-14(13)11-15/h4-7,9-11H,2-3,8,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKey BWQVPJOMOLXFHB-UHFFFAOYSA-N
Molecular Weight 340.445 g/mol
SMILES N(C(CSC=1NC(=NN1)CCCC)=O)C=1C=C2C=CC=CC2=CC1