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

Systemtic Name: N-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C13H17N5OS/c1-2-3-6-15-11(19)9-20-13-16-12(17-18-13)10-4-7-14-8-5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,19)(H,16,17,18)