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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-3-4-5-7-14(2)21-17(25)13-26-19-23-22-18(24(19)16-9-10-16)15-8-6-11-20-12-15/h6,8,11-12,14,16H,3-5,7,9-10,13H2,1-2H3,(H,21,25)/t14-/m0/s1