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

Systemtic Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-cyclopropylacetamide IUPAC Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-3-10-21-15(12-6-8-17-9-7-12)19-20-16(21)23-11-14(22)18-13-4-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,18,22)