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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C19H29N5OS MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

InChI

InChI=1S/C19H29N5OS/c1-4-6-7-8-9-15(3)21-17(25)14-26-19-23-22-18(24(19)5-2)16-10-12-20-13-11-16/h10-13,15H,4-9,14H2,1-3H3,(H,21,25)/t15-/m0/s1