2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[4-butyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)C3=CN=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)C3=CN=CC=C3

InChI

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