N-[(2S)-6-methylheptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5OS/c1-12(2)5-4-6-13(3)19-15(23)11-24-17-20-16(21-22-17)14-7-9-18-10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,23)(H,20,21,22)/t13-/m0/s1