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

Systemtic Name: 2-(3,5-dimethylphenoxy)-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-(3,5-dimethylphenoxy)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-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-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(3,5-dimethylphenoxy)acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-14-9-15(2)11-18(10-14)26-12-19(25)23-24-16(3)21-22-20(24)27-13-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,23,25)