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

Systemtic Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-butyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5OS/c1-3-5-10-21-15(13-7-6-9-17-11-13)19-20-16(21)23-12-14(22)18-8-4-2/h6-7,9,11H,3-5,8,10,12H2,1-2H3,(H,18,22)