2-(4-butan-2-ylphenoxy)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-(4-butan-2-ylphenoxy)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-sec-butylphenoxy)acetamide CAS Name: 2-(4-butan-2-ylphenoxy)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-butan-2-ylphenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-sec-butylphenoxy)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4O2S/c1-4-16(2)19-10-12-20(13-11-19)28-14-21(27)25-26-17(3)23-24-22(26)29-15-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,25,27)