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

Systemtic Name: N-tert-butyl-2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-butyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5OS/c1-5-6-10-22-15(13-8-7-9-18-11-13)20-21-16(22)24-12-14(23)19-17(2,3)4/h7-9,11H,5-6,10,12H2,1-4H3,(H,19,23)