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

Systemtic Name: 4-cyclohexyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4CCOCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SC[C@H]4CCOCO4

InChI

InChI=1S/C20H27N3O3S/c1-24-17-9-7-15(8-10-17)19-21-22-20(23(19)16-5-3-2-4-6-16)27-13-18-11-12-25-14-26-18/h7-10,16,18H,2-6,11-14H2,1H3/t18-/m1/s1