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

Systemtic Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O2S/c1-20-13-14-24(17-21(20)2)33-18-25-29-30-27(31(25)23-11-7-4-8-12-23)34-19-26(32)28-16-15-22-9-5-3-6-10-22/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,32)