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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-4-26-20(13-11-18-8-6-5-7-9-18)24-25-22(26)28-15-21(27)23-19-12-10-16(2)17(3)14-19/h5-10,12,14H,4,11,13,15H2,1-3H3,(H,23,27)