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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

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