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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-hexylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H25N5OS/c1-2-3-4-5-10-20-16(24)13-25-18-22-21-17(23(18)15-6-7-15)14-8-11-19-12-9-14/h8-9,11-12,15H,2-7,10,13H2,1H3,(H,20,24)