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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-isopropylphenoxy)acetamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-isopropylphenoxy)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-15(2)18-9-11-19(12-10-18)27-13-20(26)24-25-16(3)22-23-21(25)28-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,26)