3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-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)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N3O3S/c1-26-17-12-10-16(11-13-17)25-21(19-8-3-4-9-20(19)27-2)23-24-22(25)29-15-18-7-5-6-14-28-18/h3-4,8-13,18H,5-7,14-15H2,1-2H3