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

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-15-8-9-18(16(2)12-15)24-14-22-23-20(24)26-13-19(25)21-11-10-17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)