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

Systemtic Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-16-9-10-18(19(13-16)28-3)29-14-20-24-25-22(26(20)2)30-15-21(27)23-12-11-17-7-5-4-6-8-17/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,27)