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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5OS/c1-3-4-5-6-12(2)18-14(22)11-23-16-19-15(20-21-16)13-7-9-17-10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,18,22)(H,19,20,21)/t12-/m0/s1