3-[(4-methoxyphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

InChI

InChI=1S/C22H25N3O3S/c1-26-18-10-12-19(13-11-18)28-15-21-23-24-22(25(21)17-7-3-2-4-8-17)29-16-20-9-5-6-14-27-20/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3