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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-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=C(C=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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