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

Systemtic Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-oxanyl]methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazole Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4CCCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SC[C@H]4CCCCO4)OC

InChI

InChI=1S/C22H31N3O3S/c1-26-19-12-11-16(14-20(19)27-2)21-23-24-22(25(21)17-8-4-3-5-9-17)29-15-18-10-6-7-13-28-18/h11-12,14,17-18H,3-10,13,15H2,1-2H3/t18-/m1/s1