N-[[4-cyclohexyl-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[[(2R)-2-oxanyl]methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4CCCCO4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SC[C@H]4CCCCO4

InChI

InChI=1S/C22H32N4O2S/c1-27-19-12-7-8-17(14-19)23-15-21-24-25-22(26(21)18-9-3-2-4-10-18)29-16-20-11-5-6-13-28-20/h7-8,12,14,18,20,23H,2-6,9-11,13,15-16H2,1H3/t20-/m1/s1