4-methyl-3-(phenylmethylsulfanyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(phenylmethylsulfanyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1,2,4-triazole CAS Name: 4-methyl-3-(phenylmethylthio)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(4-cumylphenoxy)methyl]-4-methyl-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NN=C(N3C)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NN=C(N3C)SCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-26(2,21-12-8-5-9-13-21)22-14-16-23(17-15-22)30-18-24-27-28-25(29(24)3)31-19-20-10-6-4-7-11-20/h4-17H,18-19H2,1-3H3