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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-ethylhexyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-ethylhexyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-ethylhexyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-ethylhexyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-ethylhexyl]acetamide Formula: C17H26N6OS MolecularWeight: 362.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C17H26N6OS/c1-3-5-7-13(4-2)10-20-15(24)12-25-17-22-21-16(23(17)18)14-8-6-9-19-11-14/h6,8-9,11,13H,3-5,7,10,12,18H2,1-2H3,(H,20,24)/t13-/m0/s1