2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)C2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OC(C)C2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16-9-7-8-12-19(16)28-17(2)21-24-25-22(26(21)3)29-15-20(27)23-14-13-18-10-5-4-6-11-18/h4-12,17H,13-15H2,1-3H3,(H,23,27)