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

Systemtic Name: N-[(2S)-octan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-octan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-octan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylheptyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C17H25N5OS/c1-3-4-5-6-7-13(2)19-15(23)12-24-17-20-16(21-22-17)14-8-10-18-11-9-14/h8-11,13H,3-7,12H2,1-2H3,(H,19,23)(H,20,21,22)/t13-/m0/s1