3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-methoxyphenyl)-4-phenethyl-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(N2CCC3=CC=CC=C3)SCC4CCOCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC[C@H]4CCOCO4

InChI

InChI=1S/C22H25N3O3S/c1-26-19-9-7-18(8-10-19)21-23-24-22(29-15-20-12-14-27-16-28-20)25(21)13-11-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3/t20-/m1/s1