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

Systemtic Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-butyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C14H19N5OS MolecularWeight: 305.39856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC)C2=CN=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC)C2=CN=CC=C2

InChI

InChI=1S/C14H19N5OS/c1-3-4-8-19-13(11-6-5-7-16-9-11)17-18-14(19)21-10-12(20)15-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,20)