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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H30N4O2S/c1-4-8-22-13-15-24(16-14-22)34-18-26-30-31-28(32(26)23-9-6-5-7-10-23)35-19-27(33)29-25-17-20(2)11-12-21(25)3/h5-7,9-17H,4,8,18-19H2,1-3H3,(H,29,33)