N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4OS/c1-3-5-9-14(4-2)12-19-16(23)13-24-18-20-17(21-22-18)15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,19,23)(H,20,21,22)/t14-/m0/s1