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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[4-propyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[4-propyl-5-(3-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=C(C=C(C=C2)C)C)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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