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

Systemtic Name: 3,4-bis(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3,4-bis(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3,4-bis(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3,4-bis(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3,4-bis(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)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4CCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4CCCCO4

InChI

InChI=1S/C22H25N3O3S/c1-26-18-10-6-16(7-11-18)21-23-24-22(29-15-20-5-3-4-14-28-20)25(21)17-8-12-19(27-2)13-9-17/h6-13,20H,3-5,14-15H2,1-2H3