2-[[5-(4-tert-butylphenyl)-4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-5-15-8-6-7-9-18(15)26-20(24-25-21(26)28-14-19(23)27)16-10-12-17(13-11-16)22(2,3)4/h6-13H,5,14H2,1-4H3,(H2,23,27)