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

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3,5-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3)C

InChI

InChI=1S/C17H17N5OS/c1-11-6-12(2)8-14(7-11)22-16(13-4-3-5-19-9-13)20-21-17(22)24-10-15(18)23/h3-9H,10H2,1-2H3,(H2,18,23)