2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)COC4=C(C=CC=C4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)COC4=C(C=CC=C4C)C

InChI

InChI=1S/C28H30N4O3S/c1-5-34-24-15-11-22(12-16-24)29-26(33)18-36-28-31-30-25(32(28)23-13-9-19(2)10-14-23)17-35-27-20(3)7-6-8-21(27)4/h6-16H,5,17-18H2,1-4H3,(H,29,33)