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

Systemtic Name: N-tert-butyl-2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(2-ethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-5-15-9-6-7-11-17(15)26-19(16-10-8-12-22-13-16)24-25-20(26)28-14-18(27)23-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,27)