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

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4CCOCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC[C@H]4CCOCO4

InChI

InChI=1S/C20H21N3O3S/c1-24-18-10-6-5-9-17(18)19-21-22-20(23(19)15-7-3-2-4-8-15)27-13-16-11-12-25-14-26-16/h2-10,16H,11-14H2,1H3/t16-/m1/s1