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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[4-propyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[4-propyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=CC=N3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=CC=N3

InChI

InChI=1S/C20H23N5OS/c1-4-9-25-19(17-7-5-6-8-21-17)23-24-20(25)27-13-18(26)22-16-11-14(2)10-15(3)12-16/h5-8,10-12H,4,9,13H2,1-3H3,(H,22,26)