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

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-sec-butylphenyl)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)CC

Isomeric SMILES

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

InChI

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