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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

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